SCHEMBL12423503

SCHEMBL12423503

O=C(O)c1ccc(Nc2nccc(-c3ccc(Br)s3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.65
CHUK O15111 1/20 0.65
IKBKG Q9Y6K9 1/20 0.65
CAMK2D Q13557 5/20 0.60
AURKA O14965 5/20 0.58
AURKB Q96GD4 2/20 0.54
MAPK8 P45983 2/20 0.51
MAPK10 P53779 1/20 0.51
GSK3B P49841 4/20 0.51
CDK4 P11802 1/20 0.51
CDK2 P24941 1/20 0.51
PIK3CG P48736 1/20 0.50
CAMKK2 Q96RR4 1/20 0.50
CCNT1 O60563 1/20 0.50
CDK9 P50750 1/20 0.50
DKK1 O94907 1/20 0.48
PDE4B Q07343 1/20 0.47

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
SCHEMBL12423154 0.89 MAPK8 (0.62) IKBKBCHUKIKBKGCAMK2DAURKA
SCHEMBL12423517 0.86 CDK2 (0.55) IKBKBCHUKIKBKGCAMK2DAURKA
SCHEMBL12423133 0.86 IKBKB (0.70) IKBKBCHUKIKBKGCAMK2DAURKA
SCHEMBL12423528 0.83 IKBKB (0.57) IKBKBCHUKIKBKGCAMK2DAURKA
SCHEMBL12423560 0.82 IKBKB (0.69) IKBKBCHUKIKBKGCAMK2DAURKA
SCHEMBL12423166 0.82 SYK (0.58) IKBKBCHUKIKBKGAURKAAURKB
SCHEMBL12423171 0.82 IKBKB (0.55) IKBKBAURKAAURKBGSK3BCDK4
SCHEMBL12423538 0.81 IKBKB (0.52) IKBKBCHUKIKBKGGSK3BCDK2
SCHEMBL12423534 0.81 AURKA (0.55) IKBKBCHUKIKBKGCAMK2DAURKA
SCHEMBL12423521 0.81 CDK1 (0.60) IKBKBCHUKIKBKGAURKACDK2

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 553/4885CHUK 164/4885IKBKG 814/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 IKBKB 553/4885CHUK 164/4885IKBKG 814/4885

“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.