SCHEMBL12638947

SCHEMBL12638947

Cc1cnc(-n2cccc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
KCNH2 Q12809 2/20 0.33
GPR119 Q8TDV5 2/20 0.33
POLB P06746 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
APP P05067 1/20 0.30

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
SCHEMBL17987907 0.75 COMT (0.31) MEN1ALDH1A1KMT2AL3MBTL1CHRNB2
SCHEMBL2629369 0.75 CYP3A4 (0.42) ALDH1A1KMT2ACYP1A2CYP2A6
SCHEMBL9925947 0.74 POLB (0.31) POLB
SCHEMBL9925915 0.74 CYP2E1 (0.44) CYP1A2CYP2A6
SCHEMBL12186843 0.73 POLB (0.32) POLB
SCHEMBL28987728 0.73 POLB (0.32) POLB
SCHEMBL30337554 0.73 POLB (0.32) POLB
SCHEMBL179316 0.72
SCHEMBL9885060 0.71 HRH4 (0.43) MEN1ALDH1A1KMT2AL3MBTL1OPRM1
SCHEMBL154718 0.71 GRIN2D (0.45) KMT2AGPR119POLBCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4066834-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF PI3K-GAMMA MEDIATED DISORDERS Infinity Pharmaceuticals, Inc. (US) 2022-10-05 EP disclosed
EP-3613743-B1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES INTELLIKINE LLC (US) 2022-03-16 EP disclosed
EP-3811974-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS Infinity Pharmaceuticals, Inc. (US) 2021-04-28 EP disclosed
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2019-09-26 US disclosed
EP-2240452-B1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES AS PI3 KINASE MODULATORS, THEIR COMPOSITIONS AND USES INTELLIKINE LLC (US) 2019-05-29 EP disclosed
EP-3441392-A1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION Intellikine, LLC (US) 2019-02-13 EP disclosed
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2017-12-21 US disclosed
US-9828377-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
US-9822131-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-11-21 US disclosed
US-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2017-10-05 US disclosed
US-20140206684-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-8785470-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-20140120083-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8703777-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2014-04-22 US disclosed
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-8569323-B2 Substituted isoquinolin-1(2H)-one compounds, compositions, and methods thereof INTELLIKINE, LLC (US) 2013-10-29 US disclosed
WO-2013154878-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2013-10-17 WO disclosed
US-20130267521-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2013-10-10 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE LLC 2011-06-30 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-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB MEN1 1386/4885ALDH1A1 3154/4885KMT2A 3819/4885
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA MEN1 1537/4885ALDH1A1 4410/4885KMT2A 2628/4885
US-20140206684-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A MEN1 410/4885ALDH1A1 3187/4885KMT2A 3624/4885
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB MEN1 892/4885ALDH1A1 2185/4885KMT2A 2988/4885
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3C3, PRKACA MEN1 1689/4885ALDH1A1 2209/4885KMT2A 2089/4885
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB MEN1 1860/4885ALDH1A1 2702/4885KMT2A 985/4885
US-20130267521-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB MEN1 1386/4885ALDH1A1 3154/4885KMT2A 3819/4885
US-20140120083-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB MEN1 1860/4885ALDH1A1 2702/4885KMT2A 985/4885
US-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB MEN1 892/4885ALDH1A1 2185/4885KMT2A 2988/4885

“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.