SCHEMBL12423538

SCHEMBL12423538

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.52
CHUK O15111 8/20 0.52
IKBKG Q9Y6K9 8/20 0.52
CDK2 P24941 4/20 0.46
CCNA2 P20248 2/20 0.46
AKT3 Q9Y243 1/20 0.45
CDK1 P06493 1/20 0.44
CDK7 P50613 1/20 0.44
CDK5 Q00535 1/20 0.44
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
KCNH2 Q12809 1/20 0.43
GSK3B P49841 2/20 0.43
DKK1 O94907 1/20 0.43
SYK P43405 1/20 0.42
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42
CDC7 O00311 1/20 0.41
CDK19 Q9BWU1 1/20 0.41
PTK2 Q05397 1/20 0.41

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
SCHEMBL12423517 0.87 CDK2 (0.55) IKBKBCHUKIKBKGCDK2JAK3
SCHEMBL12423510 0.86 IKBKB (0.47) IKBKBCHUKIKBKGJAK2JAK3
SCHEMBL12423506 0.85 IKBKB (0.71) IKBKBCHUKIKBKGCDK2CCNA2
SCHEMBL12423569 0.83 IKBKB (0.64) IKBKBCHUKIKBKGCDK2CCNA2
SCHEMBL12423503 0.81 IKBKB (0.65) IKBKBCHUKIKBKGCDK2GSK3B
SCHEMBL2196232 0.80 IKBKB (0.54) IKBKBCHUKIKBKGCDK2CDK1
SCHEMBL12423154 0.80 MAPK8 (0.62) IKBKBCHUKIKBKGCDK2JAK2
SCHEMBL12423149 0.79 IKBKB (0.46) IKBKBCHUKIKBKGCDK2CCNA2
SCHEMBL3524238 0.78 IKBKB (0.68) IKBKBCHUKIKBKGCDK2CCNA2
SCHEMBL12423138 0.78 IKBKB (0.59) IKBKBCHUKIKBKGCDK2CCNA2

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 553/4885CHUK 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.