SCHEMBL12423154

SCHEMBL12423154

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.62
MAPK10 P53779 1/20 0.62
IKBKB O14920 6/20 0.52
CHUK O15111 4/20 0.52
IKBKG Q9Y6K9 3/20 0.52
GSK3B P49841 3/20 0.52
CDK2 P24941 2/20 0.52
KCNH2 Q12809 1/20 0.52
CDK4 P11802 1/20 0.52
JAK2 O60674 1/20 0.52
PIK3CG P48736 1/20 0.50
CAMKK2 Q96RR4 1/20 0.50
DKK1 O94907 1/20 0.50
AURKA O14965 3/20 0.49
AURKB Q96GD4 1/20 0.48
CAMK2D Q13557 3/20 0.46
ROCK1 Q13464 1/20 0.46
LCK P06239 1/20 0.46
JAK3 P52333 1/20 0.46
MKNK1 Q9BUB5 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
SCHEMBL12423503 0.89 IKBKB (0.65) MAPK8MAPK10IKBKBCHUKIKBKG
SCHEMBL12423140 0.86 IKBKB (0.57) MAPK8IKBKBGSK3BPIK3CGCAMKK2
SCHEMBL12423517 0.85 CDK2 (0.55) MAPK8MAPK10IKBKBCHUKIKBKG
SCHEMBL12423560 0.83 IKBKB (0.69) MAPK8MAPK10IKBKBCHUKIKBKG
SCHEMBL12423528 0.82 IKBKB (0.57) MAPK8MAPK10IKBKBCHUKIKBKG
SCHEMBL12423572 0.82 IKBKB (0.62) MAPK8MAPK10IKBKBCHUKIKBKG
SCHEMBL12423555 0.81 IKBKB (0.61) MAPK8MAPK10IKBKBCHUKIKBKG
SCHEMBL12423166 0.81 SYK (0.58) IKBKBCHUKIKBKGGSK3BCDK2
SCHEMBL12423171 0.81 IKBKB (0.55) IKBKBGSK3BCDK2KCNH2CDK4
SCHEMBL3516308 0.81 IKBKB (0.76) MAPK8MAPK10IKBKBCHUKGSK3B

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 MAPK8 237/4885MAPK10 198/4885IKBKB 553/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 MAPK8 237/4885MAPK10 198/4885IKBKB 553/4885

“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.