SCHEMBL12423739

SCHEMBL12423739

COc1ccc(Nc2nccc(-c3ccc(Br)s3)n2)cc1C(=O)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.50
CDK2 P24941 1/20 0.43
KCNH2 Q12809 1/20 0.43
ABL1 P00519 2/20 0.42
BCR P11274 2/20 0.42
EGFR P00533 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
PRKCA P17252 1/20 0.42
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
IKBKG Q9Y6K9 1/20 0.42
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
JAK2 O60674 1/20 0.41
FLT3 P36888 1/20 0.41
CDC7 O00311 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 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
SCHEMBL12423496 0.87 SYK (0.48) SYKCDK2KCNH2IKBKBCHUK
SCHEMBL12423169 0.83 CDK2 (0.53) SYKCDK2EGFRPRKCAIKBKB
SCHEMBL12423184 0.83 AURKB (0.56) SYKCDK2ABL1BCREGFR
SCHEMBL12423517 0.81 CDK2 (0.55) SYKCDK2KCNH2IKBKBCHUK
SCHEMBL12423129 0.80 IKBKB (0.54) SYKABL1BCRPDGFRBPDGFRA
SCHEMBL12423546 0.79 SYK (0.48) SYKIKBKBCHUKIKBKG
SCHEMBL13154285 0.77 IKBKB (0.43) SYKABL1BCREGFRIKBKB
SCHEMBL14254138 0.76 JAK2 (0.55) SYKABL1BCREGFRPDGFRB
SCHEMBL12423144 0.76 PIK3CB (0.58) SYKCDK2IKBKBAURKB
SCHEMBL14254144 0.75 PIK3CG (0.64) SYKABL1BCREGFRPDGFRB

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 SYK 420/4885CDK2 110/4885KCNH2 2330/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 SYK 420/4885CDK2 110/4885KCNH2 2330/4885

“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.