SCHEMBL2197545

SCHEMBL2197545

Cc1cccc(Nc2nccc(-c3ccc(NCc4ccccn4)s3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.51
SYK P43405 2/20 0.51
SRC P12931 1/20 0.51
ZAP70 P43403 1/20 0.51
PIK3CA P42336 2/20 0.49
PIK3CG P48736 2/20 0.49
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
JAK2 O60674 1/20 0.48
FLT3 P36888 1/20 0.48
CDK1 P06493 2/20 0.48
CCNB2 O95067 1/20 0.48
RET P07949 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
PIK3CB P42338 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 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
SCHEMBL12509738 0.88 CDK2 (0.53) CDK2SYKSRCZAP70PIK3CA
SCHEMBL12509621 0.84 CDK2 (0.49) CDK2SYKSRCZAP70PIK3CA
SCHEMBL14538029 0.84 CDK2 (0.60) CDK2SYKSRCZAP70PIK3CA
SCHEMBL12509789 0.83 PIK3CA (0.56) CDK2SYKSRCZAP70PIK3CA
SCHEMBL13154205 0.83 SOS1 (0.53) CDK2SYKSRCZAP70PIK3CA
SCHEMBL13154202 0.83 CDK2 (0.53) CDK2SYKSRCZAP70PIK3CA
SCHEMBL12509736 0.83 CDK2 (0.55) CDK2SYKSRCZAP70PIK3CA
SCHEMBL13154194 0.82 CDK2 (0.52) CDK2SYKSRCZAP70PIK3CA
SCHEMBL12509519 0.82 PIK3CG (0.52) CDK2SYKSRCZAP70PIK3CA
SCHEMBL2196760 0.81 PIK3CA (0.53) CDK2SYKSRCZAP70PIK3CA

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 12 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

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 CDK2 110/4885SYK 420/4885SRC 259/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 CDK2 110/4885SYK 420/4885SRC 259/4885

“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.