SCHEMBL12423149

SCHEMBL12423149

CN(C)Cc1ccc(Nc2nccc(-c3ccc(Br)s3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.46
DKK1 O94907 1/20 0.46
GSK3B P49841 1/20 0.46
CDK2 P24941 10/20 0.44
CDK4 P11802 7/20 0.44
CDK1 P06493 4/20 0.44
CDK7 P50613 4/20 0.44
CDK9 P50750 4/20 0.44
AURKA O14965 3/20 0.44
CCNE1 P24864 2/20 0.44
AURKB Q96GD4 2/20 0.44
RET P07949 1/20 0.43
CHUK O15111 2/20 0.43
IKBKG Q9Y6K9 2/20 0.43
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PLK1 P53350 2/20 0.40
CCNT1 O60563 1/20 0.40
CCNB1 P14635 1/20 0.40

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
SCHEMBL12423155 0.86 CDK2 (0.46) IKBKBGSK3BCDK2CDK4CDK1
SCHEMBL13181312 0.86 IKBKB (0.46) IKBKBDKK1GSK3BCDK2CDK4
SCHEMBL12423171 0.82 IKBKB (0.55) IKBKBDKK1GSK3BCDK2CDK4
SCHEMBL12423188 0.82 IKBKB (0.47) IKBKBDKK1GSK3BCDK2CDK4
SCHEMBL12423166 0.80 SYK (0.58) IKBKBDKK1GSK3BCDK2CDK4
SCHEMBL12423517 0.79 CDK2 (0.55) IKBKBDKK1GSK3BCDK2AURKA
SCHEMBL12423136 0.79 CDK2 (0.50) IKBKBDKK1GSK3BCDK2CDK4
SCHEMBL12423144 0.79 PIK3CB (0.58) IKBKBDKK1GSK3BCDK2CDK4
SCHEMBL12423538 0.79 IKBKB (0.52) IKBKBDKK1GSK3BCDK2CDK1
SCHEMBL3524238 0.79 IKBKB (0.68) IKBKBDKK1GSK3BCDK2CDK4

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 553/4885DKK1 1541/4885GSK3B 967/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 IKBKB 553/4885DKK1 1541/4885GSK3B 967/4885

“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.