SCHEMBL12423136

SCHEMBL12423136

CC(C)c1ccc(Nc2nccc(-c3ccc(Br)s3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.50
CDK4 P11802 9/20 0.50
CDK9 P50750 5/20 0.50
GSK3B P49841 2/20 0.50
CCNK O75909 1/20 0.50
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
CDK19 Q9BWU1 1/20 0.50
IKBKB O14920 2/20 0.49
DKK1 O94907 1/20 0.49
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 2/20 0.46
CDK1 P06493 4/20 0.45
CDK7 P50613 4/20 0.45
AURKA O14965 3/20 0.45
CCNA2 P20248 2/20 0.45
CCNT1 O60563 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNH P51946 1/20 0.45

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
SCHEMBL12423171 0.85 IKBKB (0.55) CDK2CDK4CDK9GSK3BIKBKB
SCHEMBL13181340 0.85 CDK2 (0.50) CDK2CDK4CDK9GSK3BCCNK
SCHEMBL12423166 0.83 SYK (0.58) CDK2CDK4CDK9GSK3BIKBKB
SCHEMBL12423144 0.82 PIK3CB (0.58) CDK2CDK4GSK3BIKBKBDKK1
SCHEMBL12423159 0.80 IKBKB (0.49) CDK2CDK4CDK9GSK3BIKBKB
SCHEMBL12423191 0.80 MEN1 (0.55) CDK2CDK4CDK9GSK3BIKBKB
SCHEMBL12423149 0.79 IKBKB (0.46) CDK2CDK4CDK9GSK3BIKBKB
SCHEMBL12423148 0.79 ZAP70 (0.61) CDK2CDK4CDK9GSK3BIKBKB
SCHEMBL14538046 0.79 PIK3CG (0.46) CDK2CDK4CDK9IKBKBPIK3CA
SCHEMBL2196146 0.79 PIK3CG (0.46) CDK2CDK4CDK9IKBKBPIK3CA

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 CDK2 110/4885CDK4 240/4885CDK9 144/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 CDK2 110/4885CDK4 240/4885CDK9 144/4885

“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.