SCHEMBL12423133

SCHEMBL12423133

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.70
ABL1 P00519 4/20 0.64
BCR P11274 4/20 0.64
PRKCA P17252 3/20 0.64
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
MAPK8 P45983 2/20 0.55
PIK3CG P48736 2/20 0.55
GSK3B P49841 2/20 0.55
CAMKK2 Q96RR4 2/20 0.55
CHUK O15111 1/20 0.54
IKBKG Q9Y6K9 1/20 0.54
CAMK2D Q13557 4/20 0.54
AURKA O14965 3/20 0.53
RHOA P61586 1/20 0.52
SYK P43405 1/20 0.50
SRC P12931 3/20 0.49
PFKFB3 Q16875 1/20 0.48
PDGFRB P09619 2/20 0.48
PDGFRA P16234 2/20 0.48

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
SCHEMBL12423140 0.90 IKBKB (0.57) IKBKBABL1BCRPRKCAMAPK8
SCHEMBL12423129 0.87 IKBKB (0.54) IKBKBABL1BCRPRKCANPC1
SCHEMBL12423503 0.86 IKBKB (0.65) IKBKBMAPK8PIK3CGGSK3BCAMKK2
SCHEMBL12509331 0.84 ABL1 (0.55) IKBKBABL1BCRPRKCANPC1
SCHEMBL13154277 0.84 IKBKB (0.51) IKBKBABL1BCRPRKCANPC1
SCHEMBL12423172 0.83 PIK3CG (0.52) IKBKBABL1BCRPRKCAPIK3CG
SCHEMBL2198062 0.82 SYK (0.55) IKBKBCHUKIKBKGSYK
SCHEMBL12423131 0.82 CCNT1 (0.66) IKBKBCHUKIKBKGSYKPRKCZ
SCHEMBL12509735 0.82 BRAF (0.54) IKBKBABL1BCRPRKCAGSK3B
SCHEMBL12509694 0.81 IKBKB (0.62) IKBKBABL1BCRGSK3BCHUK

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 9 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
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 553/4885ABL1 45/4885BCR 981/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 IKBKB 553/4885ABL1 45/4885BCR 981/4885

“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.