SCHEMBL12423178

SCHEMBL12423178

CC(C)Oc1cccc(Nc2nccc(-c3ccc(Br)s3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.54
PIK3CB P42338 4/20 0.54
PIK3CA P42336 5/20 0.51
SYK P43405 5/20 0.47
EGFR P00533 1/20 0.46
ABL1 P00519 2/20 0.46
BCR P11274 2/20 0.46
CDK2 P24941 4/20 0.46
CDK1 P06493 2/20 0.46
IKBKB O14920 2/20 0.46
CDK5 Q00535 2/20 0.46
GSK3B P49841 2/20 0.46
DYRK1A Q13627 2/20 0.46
CDC7 O00311 1/20 0.46
PLK4 O00444 1/20 0.46
AURKA O14965 1/20 0.46
CHUK O15111 1/20 0.46
MAPK13 O15264 1/20 0.46
DAPK3 O43293 1/20 0.46
DYRK3 O43781 1/20 0.46

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
SCHEMBL12423165 0.89 PIK3CG (0.68) PIK3CGPIK3CBPIK3CASYKEGFR
SCHEMBL12423167 0.82 PIK3CG (0.66) PIK3CGPIK3CBPIK3CASYKABL1
SCHEMBL2196146 0.82 PIK3CG (0.46) PIK3CGPIK3CBPIK3CASYKABL1
SCHEMBL14538046 0.82 PIK3CG (0.46) PIK3CGPIK3CBPIK3CASYKABL1
SCHEMBL12423172 0.82 PIK3CG (0.52) PIK3CGPIK3CBPIK3CASYKEGFR
SCHEMBL12423661 0.80 PIK3CG (0.43) PIK3CGPIK3CBPIK3CASYKABL1
SCHEMBL12423151 0.80 SYK (0.49) PIK3CGPIK3CBPIK3CASYKABL1
SCHEMBL12423133 0.79 IKBKB (0.70) PIK3CGSYKABL1BCRIKBKB
SCHEMBL12423140 0.78 IKBKB (0.57) PIK3CGSYKABL1BCRIKBKB
SCHEMBL12423195 0.78 PIK3CG (0.46) PIK3CGPIK3CBPIK3CASYKABL1

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 PIK3CG 280/4885PIK3CB 130/4885PIK3CA 241/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 PIK3CG 280/4885PIK3CB 130/4885PIK3CA 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.