SCHEMBL12423311

SCHEMBL12423311

COc1cccc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(C(C)O)c4)n3)s2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.47
AKT3 Q9Y243 3/20 0.47
CNR2 P34972 2/20 0.46
PIK3CG P48736 4/20 0.44
GSK3B P49841 3/20 0.44
PIK3CA P42336 3/20 0.44
PIK3CB P42338 3/20 0.44
AURKA O14965 2/20 0.44
MAP4K4 O95819 2/20 0.44
CSNK1A1 P48729 2/20 0.44
CDK8 P49336 2/20 0.44
RPS6KA3 P51812 2/20 0.44
AURKB Q96GD4 2/20 0.44
ROS1 P08922 2/20 0.44
SYK P43405 2/20 0.44
ROCK2 O75116 2/20 0.44
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44

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
SCHEMBL12423256 0.93 AKT3 (0.52) ROCK1AKT3CNR2PIK3CGGSK3B
SCHEMBL12423308 0.90 AKT3 (0.54) AKT3SYKIKBKBCAMK2D
SCHEMBL12423258 0.90 AKT3 (0.49) AKT3CDK1CDK2DYRK1A
SCHEMBL12423375 0.90 AKT3 (0.49) AKT3PIK3CGPIK3CAPIK3CBSYK
SCHEMBL14100381 0.89 AKT3 (0.55) ROCK1AKT3CNR2PIK3CGGSK3B
SCHEMBL12423346 0.89 AKT3 (0.49) AKT3CNR2SYKIKBKBMAPK1
SCHEMBL4919836 0.88 AKT3 (0.52) ROCK1AKT3CNR2PIK3CGPIK3CA
SCHEMBL13154120 0.87 AKT3 (0.50) AKT3IKBKBCDK2CAMK2D
SCHEMBL13154135 0.87 AKT3 (0.54) AKT3AURKAAURKBCDK1CDK2
SCHEMBL2198523 0.87 AKT3 (0.47) AKT3IKBKB

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 ROCK1 716/4885AKT3 340/4885CNR2 2660/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 ROCK1 716/4885AKT3 340/4885CNR2 2660/4885

“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.