SCHEMBL2196146

SCHEMBL2196146

CC(O)c1cccc(Nc2nccc(-c3ccc(Br)s3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.46
PIK3CA P42336 2/20 0.46
CDK2 P24941 9/20 0.45
CDK4 P11802 6/20 0.45
CCNT1 O60563 2/20 0.45
CCNA2 P20248 2/20 0.45
CDK9 P50750 2/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CDK7 P50613 1/20 0.45
CCNH P51946 1/20 0.45
CCNA1 P78396 1/20 0.45
IKBKB O14920 1/20 0.44
PIK3CB P42338 2/20 0.43
SRC P12931 1/20 0.42
ZAP70 P43403 1/20 0.42
SYK P43405 1/20 0.42
CAMK2D Q13557 5/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 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
SCHEMBL14538046 1.00 PIK3CG (0.46) PIK3CGPIK3CACDK2CDK4CCNT1
SCHEMBL13181342 0.87 CDK2 (0.45) PIK3CGPIK3CACDK2CDK4CCNT1
SCHEMBL12423408 0.86 CDK2 (0.47) PIK3CGPIK3CACDK2CDK4CCNT1
SCHEMBL12423765 0.86 ABL1 (0.52) PIK3CGPIK3CACDK2CDK4CCNT1
SCHEMBL2194750 0.86 PIK3CG (0.47) PIK3CGPIK3CACDK2CDK4CCNT1
SCHEMBL12423686 0.84 IKBKB (0.52) PIK3CGCDK2CDK4CCNT1CCNA2
SCHEMBL2196144 0.84 IKBKB (0.47) PIK3CGCDK2CDK4CCNT1CCNA2
SCHEMBL13181324 0.84 CDK2 (0.45) CDK2CDK4CCNT1CCNA2CDK9
SCHEMBL12423475 0.84 CAMK2D (0.53) PIK3CGPIK3CACDK2CDK4CCNT1
SCHEMBL12423838 0.84 IKBKB (0.47) PIK3CGCDK2CDK4CCNT1CCNA2

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 PIK3CG 280/4885PIK3CA 241/4885CDK2 110/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 PIK3CG 280/4885PIK3CA 241/4885CDK2 110/4885

“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.