SCHEMBL12423221

SCHEMBL12423221

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 5/20 0.43
IKBKB O14920 2/20 0.42
SYK P43405 5/20 0.41
CHUK O15111 1/20 0.41
IKBKG Q9Y6K9 1/20 0.41
CDK2 P24941 2/20 0.40
CCNT1 O60563 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
CCNH P51946 1/20 0.40
CCNA1 P78396 1/20 0.40
CDC7 O00311 1/20 0.40
CDK19 Q9BWU1 1/20 0.40
CAMK2D Q13557 3/20 0.39
AURKA O14965 2/20 0.38
CDK4 P11802 1/20 0.38

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
SCHEMBL12423233 0.91 IKBKB (0.43) AKT3IKBKBSYKCHUKIKBKG
SCHEMBL12423232 0.90 AKT3 (0.47) AKT3IKBKBSYKCHUKIKBKG
SCHEMBL12423269 0.89 JAK2 (0.44) AKT3IKBKBSYKCHUKIKBKG
SCHEMBL12423296 0.88 CDK2 (0.44) AKT3IKBKBSYKCHUKIKBKG
SCHEMBL12423224 0.88 IKBKB (0.41) AKT3IKBKBSYKCHUKIKBKG
SCHEMBL12423257 0.88 HSD17B2 (0.46) AKT3IKBKBSYKCAMK2D
SCHEMBL12423248 0.87 IKBKB (0.43) AKT3IKBKBSYKCDK2CCNT1
SCHEMBL12423271 0.87 CDK2 (0.44) AKT3IKBKBSYKCHUKIKBKG
SCHEMBL2198528 0.86 IKBKB (0.42) AKT3IKBKBSYKCHUKCDK2
SCHEMBL2196144 0.85 IKBKB (0.47) IKBKBCHUKIKBKGCDK2CCNT1

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 340/4885IKBKB 553/4885SYK 420/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 AKT3 340/4885IKBKB 553/4885SYK 420/4885

“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.