SCHEMBL3103406

SCHEMBL3103406

C[Si](C)(C)C(CO[C]=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
GRM7 Q14831 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
SCN4A P35499 2/20 0.31
TAAR1 Q96RJ0 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1683176 0.77 CA12 (0.42) TSHRCYP1A2SMN1; SMN2CYP2D6PKM
SCHEMBL5492430 0.76 CYP2C19 (0.35) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL424239 0.76 TAAR1 (0.47) ALDH1A1TAAR1
SCHEMBL8489804 0.73 CCR5 (0.41) TSHRCYP1A2SMN1; SMN2CYP2D6PKM
SCHEMBL11124275 0.73 TSHR (0.38) TSHRCYP1A2SMN1; SMN2CYP2D6PKM
SCHEMBL11124263 0.73 TSHR (0.38) TSHRCYP1A2SMN1; SMN2CYP2D6PKM
SCHEMBL3108768 0.72 TAAR1 (0.37) CYP2D6GRM2GRM3TAAR1HTR2A
SCHEMBL9865734 0.72 KDM4E (0.50) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL9572737 0.70 SMN1; SMN2 (0.39) TSHRCYP1A2SMN1; SMN2CYP2D6PKM
SCHEMBL7108780 0.69 ANPEP (0.39) TAAR1HTR2AHRH1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230108157-A1 FORMULATIONS OF (S)-3-(1-(9H-PURIN-6-YLAMINO)ETHYL)-8-CHLORO-2-PHENYLISOQUINOLIN-1(2H)-ONE INTELLIKINE LLC 2023-04-06 US disclosed
US-11312718-B2 Formulations of (S)-3-(1-(9H-purin-6-ylamino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one INFINITY PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-20200385388-A1 PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES INFINITY PHARMACEUTICALS, INC. 2020-12-10 US disclosed
US-10550122-B2 Solid forms of (S)-3-(1-(9H-purin-6-ylamino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one and methods of use thereof INFINITY PHARMACEUTICALS, INC. (US) 2020-02-04 US disclosed
EP-3238722-B1 SOLID FORMS OF ISOQUINOLINONES INFINITY PHARMACEUTICALS INC (US) 2019-03-13 EP disclosed
US-20180273535-A1 PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES HCR COLLATERAL MANAGEMENT, LLC 2018-09-27 US disclosed
US-9840505-B2 Solid forms of (S)-3-(1-(9H-purin-6-ylamino)ethyl)-8-chloro-2-phenylisoquinolin-1 (2H)-one and methods of use thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-12-12 US disclosed
US-RE46621-E1 Processes for preparing isoquinolinones and solid forms of isoquinolinones INFINITY PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
EP-3238722-A1 SOLID FORMS OF ISOQUINOLINONES Infinity Pharmaceuticals, Inc. (US) 2017-11-01 EP disclosed
EP-2663309-B1 PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES INFINITY PHARMACEUTICALS INC (US) 2017-03-15 EP disclosed
US-9290497-B2 Processes for preparing isoquinolinones and solid forms of isoquinolinones INFINITY PHARMACEUTICALS, INC. (US) 2016-03-22 US disclosed
US-20140371450-A1 PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES HCR COLLATERAL MANAGEMENT, LLC 2014-12-18 US disclosed
US-8809349-B2 Processes for preparing isoquinolinones and solid forms of isoquinolinones INFINITY PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
EP-2663309-A1 PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES Infinity Pharmaceuticals, Inc. (US) 2013-11-20 EP disclosed
US-20120184568-A1 PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES HCR COLLATERAL MANAGEMENT, LLC 2012-07-19 US disclosed
WO-2012097000-A1 PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES REN PINGDA (US) 2012-07-19 WO disclosed
US-7759494-B2 Method of preparation of anticancer taxanes using 3-[(substituted-2-trialkylsilyl)ethoxy-carbonyl]-5-oxazolidine carboxylic acids DABUR INDIA LIMITED (IN) 2010-07-20 US disclosed
US-20080064887-A1 Method of preparation of anticancer taxanes using 3-[(substituted-2-trialkylsilyl)ethoxycarbon1]-5-oxazolidine carboxylic acids DABUR INDIA LIMITED (IN) 2008-03-13 US disclosed
US-7247738-B2 Method of preparation of anticancer taxanes using 3-[(substituted-2-trialkylsilyl) ethoxycarbonyl]-5-oxazolidine carboxylic acids DABUR INDIA LIMITED (IN) 2007-07-24 US disclosed
US-20030229135-A1 Method of preparation of anticancer taxanes using 3-[(substituted-2-trialkylsilyl)ethoxycarbonyl]-5-oxazolidine carboxylic acids DABUR PHARMA LIMITED (IN) 2003-12-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11312718-B2 Formulations of (S)-3-(1-(9H-purin-6-ylamino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one PIK3CA, AKT3, PIK3CD ALDH1A1 3879/4885TSHR 3931/4885CYP1A2 1056/4885
US-20030229135-A1 Method of preparation of anticancer taxanes using 3-[(substituted-2-trialkylsilyl)ethoxycarbonyl]-5-oxazolidine carboxylic acids TBCA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TUBAL3 ALDH1A1 1025/4885TSHR 3448/4885CYP1A2 3634/4885
US-20200385388-A1 PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES PIK3CA, PDPK1, AKT3 ALDH1A1 3633/4885TSHR 4045/4885CYP1A2 621/4885
US-20120184568-A1 PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES PIK3CA, PDPK1, AKT3 ALDH1A1 3633/4885TSHR 4045/4885CYP1A2 621/4885
US-10550122-B2 Solid forms of (S)-3-(1-(9H-purin-6-ylamino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one and methods of use thereof PLK2, PLK3, PIK3CA ALDH1A1 3271/4885TSHR 3962/4885CYP1A2 1122/4885
US-20230108157-A1 FORMULATIONS OF (S)-3-(1-(9H-PURIN-6-YLAMINO)ETHYL)-8-CHLORO-2-PHENYLISOQUINOLIN-1(2H)-ONE PIK3CA, PIK3CD, PIK3CG ALDH1A1 3059/4885TSHR 4240/4885CYP1A2 670/4885
US-20140371450-A1 PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES PIK3CA, PDPK1, AKT3 ALDH1A1 3633/4885TSHR 4045/4885CYP1A2 621/4885
US-20180273535-A1 PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES PLK3, PLK2, PLK4 ALDH1A1 3591/4885TSHR 3900/4885CYP1A2 773/4885
US-20080064887-A1 Method of preparation of anticancer taxanes using 3-[(substituted-2-trialkylsilyl)ethoxycarbon1]-5-oxazolidine carboxylic acids TBCA, TUBAL3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 811/4885TSHR 3334/4885CYP1A2 3044/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.