SCHEMBL12423155

SCHEMBL12423155

CN(C)Cc1cccc(Nc2nccc(-c3ccc(Br)s3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.46
CDK4 P11802 8/20 0.46
GSK3B P49841 1/20 0.46
PIK3CG P48736 3/20 0.45
PIK3CA P42336 2/20 0.45
SYK P43405 2/20 0.44
SRC P12931 1/20 0.44
ZAP70 P43403 1/20 0.44
PIK3CB P42338 2/20 0.43
CCNT1 O60563 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
CCNH P51946 1/20 0.42
CCNA1 P78396 1/20 0.42
IKBKB O14920 2/20 0.41
NOS1 P29475 1/20 0.40
NOS2 P35228 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
SCHEMBL13181311 0.87 CDK2 (0.46) CDK2CDK4GSK3BPIK3CGPIK3CA
SCHEMBL12423149 0.86 IKBKB (0.46) CDK2CDK4GSK3BPIK3CGPIK3CA
SCHEMBL12509703 0.86 IKBKB (0.45) CDK2CDK4GSK3BPIK3CGPIK3CA
SCHEMBL2197880 0.85 EPHB4 (0.48) CDK2CDK4PIK3CGPIK3CASYK
SCHEMBL12509521 0.84 IKBKB (0.42) CDK2CDK4GSK3BPIK3CGPIK3CA
SCHEMBL5068267 0.83 IKBKB (0.44) CDK2CDK4PIK3CGPIK3CASYK
SCHEMBL12423661 0.83 PIK3CG (0.43) CDK2CDK4GSK3BPIK3CGPIK3CA
SCHEMBL13154297 0.82 PIK3CG (0.43) CDK2CDK4GSK3BPIK3CGPIK3CA
SCHEMBL12423655 0.82 JAK2 (0.62) CDK2GSK3BSYKSRCCCNA2
SCHEMBL12423167 0.82 PIK3CG (0.66) CDK2CDK4PIK3CGPIK3CASYK

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 240/4885GSK3B 967/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 CDK2 110/4885CDK4 240/4885GSK3B 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.