SCHEMBL12423256

SCHEMBL12423256

COc1ccc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(C(C)O)c4)n3)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 10/20 0.52
CNR2 P34972 2/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
BTK Q06187 1/20 0.43
CDK5 Q00535 2/20 0.43
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CDC7 O00311 1/20 0.41
PLK4 O00444 1/20 0.41
IKBKB O14920 1/20 0.41
AURKA O14965 1/20 0.41
CHUK O15111 1/20 0.41
MAPK13 O15264 1/20 0.41
DAPK3 O43293 1/20 0.41

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
SCHEMBL12423311 0.93 ROCK1 (0.47) AKT3CNR2PIK3CAPIK3CBPIK3CG
SCHEMBL12423295 0.92 AKT3 (0.55) AKT3PIK3CAPIK3CBPIK3CGCDK5
SCHEMBL13154135 0.91 AKT3 (0.54) AKT3AURKACDK1CDK2AURKB
SCHEMBL12423308 0.91 AKT3 (0.54) AKT3BTKHDAC1IKBKBSYK
SCHEMBL12423276 0.90 AKT3 (0.54) AKT3CNR2SYK
SCHEMBL13154120 0.88 AKT3 (0.50) AKT3BTKIKBKBCDK2CAMK2D
SCHEMBL2198523 0.87 AKT3 (0.47) AKT3IKBKB
SCHEMBL12423375 0.87 AKT3 (0.49) AKT3PIK3CAPIK3CBPIK3CGBTK
SCHEMBL12423361 0.87 AKT3 (0.53) AKT3CDK2
SCHEMBL12423258 0.87 AKT3 (0.49) AKT3CDK1CDK2DYRK1A

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 AKT3 340/4885CNR2 2660/4885PIK3CA 241/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 AKT3 340/4885CNR2 2660/4885PIK3CA 241/4885

“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.