SCHEMBL12423169

SCHEMBL12423169

COc1ccc(Nc2nccc(-c3ccc(Br)s3)n2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.53
CDK4 P11802 3/20 0.53
GSK3B P49841 2/20 0.53
AURKB Q96GD4 5/20 0.49
AURKA O14965 4/20 0.49
CDK1 P06493 4/20 0.49
CDK7 P50613 3/20 0.49
CDK9 P50750 3/20 0.49
IGF1R P08069 3/20 0.47
PIK3CB P42338 3/20 0.46
PIK3CG P48736 3/20 0.46
EGFR P00533 2/20 0.46
PIK3CA P42336 2/20 0.46
JAK2 O60674 1/20 0.46
PTK2B Q14289 1/20 0.46
PRKD3 O94806 1/20 0.46
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
LCK P06239 1/20 0.46
PRKCA P17252 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
SCHEMBL12423184 0.90 AURKB (0.56) CDK2CDK4GSK3BAURKBAURKA
SCHEMBL13154300 0.88 GSK3B (0.57) CDK2CDK4GSK3BAURKBAURKA
SCHEMBL12423144 0.84 PIK3CB (0.58) CDK2CDK4GSK3BAURKBCDK1
SCHEMBL12423739 0.83 SYK (0.50) CDK2AURKBAURKACDK9EGFR
SCHEMBL12423165 0.82 PIK3CG (0.68) CDK2CDK4GSK3BAURKBAURKA
SCHEMBL12423159 0.81 IKBKB (0.49) CDK2CDK4GSK3BAURKBAURKA
SCHEMBL12423171 0.80 IKBKB (0.55) CDK2CDK4GSK3BAURKBAURKA
SCHEMBL12423148 0.79 ZAP70 (0.61) CDK2CDK4GSK3BAURKACDK1
SCHEMBL12423167 0.78 PIK3CG (0.66) CDK2CDK4CDK1CDK7CDK9
SCHEMBL4802719 0.78 CDK2 (0.79) CDK2CDK4AURKBAURKACDK1

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 8 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-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-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 110/4885CDK4 240/4885GSK3B 967/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 CDK2 110/4885CDK4 240/4885GSK3B 967/4885

“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.