SCHEMBL2198049

SCHEMBL2198049

O=Cc1cccc(Nc2nccc(-c3ccc(Br)s3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.46
PIK3CG P48736 3/20 0.45
PIK3CA P42336 1/20 0.45
CDK2 P24941 7/20 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
PIK3CB P42338 1/20 0.42
ABL1 P00519 7/20 0.42
BCR P11274 7/20 0.42
PRKCA P17252 4/20 0.42
SRC P12931 3/20 0.42
PRKCD Q05655 1/20 0.42
EGFR P00533 1/20 0.42
PRKACA P17612 1/20 0.42

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
SCHEMBL12423172 0.84 PIK3CG (0.52) IKBKBPIK3CGPIK3CACDK2CCNT1
SCHEMBL12423167 0.82 PIK3CG (0.66) IKBKBPIK3CGPIK3CACDK2CCNT1
SCHEMBL12423133 0.81 IKBKB (0.70) IKBKBPIK3CGABL1BCRPRKCA
SCHEMBL12423140 0.80 IKBKB (0.57) IKBKBPIK3CGABL1BCRPRKCA
SCHEMBL13154268 0.80 ABL1 (0.65) PIK3CGPIK3CACDK2CCNT1CDK1
SCHEMBL12423181 0.79 CDK4 (0.63) IKBKBPIK3CGPIK3CACDK2PIK3CB
SCHEMBL2197880 0.79 EPHB4 (0.48) IKBKBPIK3CGPIK3CACDK2CCNT1
SCHEMBL12423177 0.79 CDK2 (0.47) IKBKBPIK3CGPIK3CACDK2CCNT1
SCHEMBL19847132 0.79 ABL1 (0.56) PIK3CGPIK3CAPIK3CBABL1BCR
SCHEMBL12423151 0.79 SYK (0.49) IKBKBPIK3CGPIK3CACDK2CCNT1

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 15 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-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-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-7803806-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
EP-1948647-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2008-07-30 EP 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
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 US disclosed
WO-2007053776-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-10 WO disclosed
WO-2007053776-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-10 WO 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 IKBKB 553/4885PIK3CG 280/4885PIK3CA 241/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 IKBKB 553/4885PIK3CG 280/4885PIK3CA 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.