SCHEMBL2197763

SCHEMBL2197763

Cc1cccc(Nc2nccc(-c3cc(-c4c(C)cccc4C)cs3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.58
CDK2 P24941 6/20 0.58
ZAP70 P43403 3/20 0.58
SYK P43405 3/20 0.58
PIK3CA P42336 3/20 0.57
PIK3CG P48736 3/20 0.57
ABL1 P00519 3/20 0.57
BCR P11274 3/20 0.57
PIK3CB P42338 2/20 0.54
CDK1 P06493 2/20 0.50
SMG1 Q96Q15 1/20 0.50
CCNB2 O95067 1/20 0.49
RET P07949 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
DYRK1A Q13627 1/20 0.48
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL12423706 0.84 PIK3CG (0.68) SRCCDK2ZAP70SYKPIK3CA
SCHEMBL7470877 0.79 CDK2 (0.70) SRCCDK2ZAP70SYKPIK3CA
SCHEMBL7473582 0.78 CDK2 (0.65) SRCCDK2ZAP70SYKPIK3CA
SCHEMBL2198846 0.78 CDK2 (0.61) SRCCDK2ZAP70SYKPIK3CA
SCHEMBL7467324 0.77 ABL1 (0.76) SRCCDK2ZAP70SYKPIK3CA
Hydrochloric Acid SCHEMBL2194727 0.77 CDK2 (0.60) SRCCDK2ZAP70SYKPIK3CA
SCHEMBL2322043 0.76 PIK3CG (0.70) SRCCDK2ZAP70SYKPIK3CA
SCHEMBL2331086 0.76 PIK3CG (0.70) SRCCDK2ZAP70SYKPIK3CA
SCHEMBL12423167 0.75 PIK3CG (0.66) SRCCDK2ZAP70SYKPIK3CA
SCHEMBL7470733 0.75 PIK3CA (0.66) SRCCDK2ZAP70SYKPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977481-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-7977481-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-7977481-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators ARNOLD WILLIAM D 2010-12-02 US disclosed
US-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators ARNOLD WILLIAM D 2010-12-02 US disclosed
US-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators ARNOLD WILLIAM D 2010-12-02 US disclosed
US-7803806-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
US-7803806-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
US-7803806-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 US disclosed
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 US disclosed
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 US disclosed
WO-2007053776-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-10 WO 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 (2 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-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators MAP3K20, MAP3K6, MAP4K2 SRC 259/4885CDK2 110/4885ZAP70 360/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 SRC 259/4885CDK2 110/4885ZAP70 360/4885

“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.