SCHEMBL12423296

SCHEMBL12423296

CC(O)c1cccc(Nc2nccc(-c3ccc(C(=O)N(C)C(C)C)s3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.44
CCNT1 O60563 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
CCNH P51946 1/20 0.44
CCNA1 P78396 1/20 0.44
IKBKB O14920 4/20 0.43
SYK P43405 3/20 0.43
AKT3 Q9Y243 2/20 0.41
CAMK2D Q13557 2/20 0.41
CDK4 P11802 3/20 0.40
AURKA O14965 2/20 0.40
GSK3B P49841 2/20 0.39
DKK1 O94907 1/20 0.39
CHUK O15111 2/20 0.39
IKBKG Q9Y6K9 2/20 0.39
ABL1 P00519 2/20 0.39

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
SCHEMBL12423271 0.91 CDK2 (0.44) CDK2CCNT1CDK1CCNB1CCNA2
SCHEMBL12423233 0.90 IKBKB (0.43) CDK2CCNT1CDK1CCNB1CCNA2
SCHEMBL2198528 0.89 IKBKB (0.42) CDK2CCNT1CDK1CCNB1CCNA2
SCHEMBL12423221 0.88 AKT3 (0.43) CDK2CCNT1CDK1CCNB1CCNA2
SCHEMBL12423248 0.88 IKBKB (0.43) CDK2CCNT1CDK1CCNB1CCNA2
SCHEMBL12423269 0.87 JAK2 (0.44) CDK2CCNT1CDK1CCNB1CCNA2
SCHEMBL12423838 0.87 IKBKB (0.47) CDK2CCNT1CDK1CCNB1CCNA2
SCHEMBL2196144 0.87 IKBKB (0.47) CDK2CCNT1CDK1CCNB1CCNA2
SCHEMBL12423686 0.87 IKBKB (0.52) CDK2CCNT1CDK1CCNB1CCNA2
SCHEMBL12423257 0.87 HSD17B2 (0.46) IKBKBSYKAKT3CAMK2D

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 110/4885CCNT1 2289/4885CDK1 277/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 CDK2 110/4885CCNT1 2289/4885CDK1 277/4885

“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.