SCHEMBL10362255

SCHEMBL10362255

CC(C)C(=O)Cc1cccc(Cl)c1C(=O)Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 4/20 0.48
JAK2 O60674 2/20 0.48
CYP3A4 P08684 1/20 0.48
JAK1 P23458 1/20 0.48
PTGS2 P35354 1/20 0.47
ITGB1 P05556 7/20 0.46
ITGA4 P13612 7/20 0.46
EGFR P00533 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
ITGA2 P17301 1/20 0.45
ITGB7 P26010 1/20 0.45
BCAT2 O15382 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL10355098 0.91 TYK2 (0.45) TYK2JAK2CYP3A4JAK1PTGS2
SCHEMBL21174718 0.89 ITGB1 (0.47) TYK2JAK2CYP3A4JAK1PTGS2
SCHEMBL21174715 0.89 ITGB1 (0.47) TYK2JAK2CYP3A4JAK1PTGS2
SCHEMBL28581212 0.86 CASP3 (0.41) TYK2JAK2CYP3A4JAK1PTGS2
SCHEMBL28581214 0.86 CASP3 (0.41) TYK2JAK2CYP3A4JAK1PTGS2
SCHEMBL18855169 0.85 TLR7 (0.45) TYK2JAK2CYP3A4JAK1ITGB1
SCHEMBL28444888 0.84 TAS1R3 (0.48) TYK2JAK2CYP3A4JAK1PTGS2
SCHEMBL18642732 0.84 TYK2 (0.48) TYK2JAK2CYP3A4JAK1PTGS2
SCHEMBL28468149 0.83 TYK2 (0.53) TYK2JAK2CYP3A4JAK1PTGS2
SCHEMBL20061313 0.82 ITGB1 (0.43) PTGS2ITGB1ITGA4ITGA2ITGB7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20160152619-A1 PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES HCR COLLATERAL MANAGEMENT, LLC 2016-06-02 US 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
US-20120184568-A1 PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES HCR COLLATERAL MANAGEMENT, LLC 2012-07-19 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 (3 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-20160152619-A1 PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES PIK3CA, PIK3CD, PDPK1 TYK2 632/4885JAK2 116/4885CYP3A4 323/4885
US-20120184568-A1 PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES PIK3CA, PDPK1, AKT3 TYK2 972/4885JAK2 196/4885CYP3A4 373/4885
US-20140371450-A1 PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES PIK3CA, PDPK1, AKT3 TYK2 972/4885JAK2 196/4885CYP3A4 373/4885

“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.