SCHEMBL12423129

SCHEMBL12423129

CN(C)C(=O)c1cccc(Nc2nccc(-c3ccc(Br)s3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.54
EPHB4 P54760 2/20 0.52
SYK P43405 8/20 0.51
ABL1 P00519 3/20 0.48
BCR P11274 3/20 0.48
SRC P12931 2/20 0.48
PRKCA P17252 2/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NEK2 P51955 1/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
PRKCD Q05655 1/20 0.44
CHUK O15111 1/20 0.44
IKBKG Q9Y6K9 1/20 0.44
PIK3CG P48736 2/20 0.43
MAPK8 P45983 1/20 0.43
GSK3B P49841 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
PIK3CA P42336 1/20 0.43

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
SCHEMBL13181258 0.88 IKBKB (0.54) IKBKBEPHB4SYKABL1BCR
SCHEMBL12423133 0.87 IKBKB (0.70) IKBKBSYKABL1BCRSRC
SCHEMBL12423517 0.87 CDK2 (0.55) IKBKBSYKCHUKIKBKGMAPK8
SCHEMBL12423140 0.86 IKBKB (0.57) IKBKBSYKABL1BCRPRKCA
SCHEMBL12509694 0.84 IKBKB (0.62) IKBKBSYKABL1BCRSRC
SCHEMBL13154273 0.83 IKBKB (0.48) IKBKBSYKABL1BCRSRC
SCHEMBL12423435 0.82 IKBKB (0.52) IKBKBEPHB4SYKABL1BCR
SCHEMBL12423496 0.82 SYK (0.48) IKBKBSYKCHUKIKBKGGSK3B
SCHEMBL12509331 0.81 ABL1 (0.55) IKBKBSYKABL1BCRSRC
SCHEMBL2198062 0.81 SYK (0.55) IKBKBSYKCHUKIKBKG

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 IKBKB 553/4885EPHB4 2169/4885SYK 420/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 IKBKB 553/4885EPHB4 2169/4885SYK 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.