SCHEMBL12423258

SCHEMBL12423258

CC(O)c1cccc(Nc2nccc(-c3ccc(C(=O)NCc4cccc(O)c4)s3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 14/20 0.49
CDK2 P24941 3/20 0.46
CDK4 P11802 2/20 0.46
DYRK1A Q13627 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
ESRRG P62508 1/20 0.41
CCNT1 O60563 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
CCNH P51946 1/20 0.40
CCNA1 P78396 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
SCHEMBL13154120 0.94 AKT3 (0.50) AKT3CDK2CDK4
SCHEMBL13154135 0.92 AKT3 (0.54) AKT3CDK2CDK4ESRRGCDK1
SCHEMBL12423308 0.92 AKT3 (0.54) AKT3ESRRG
SCHEMBL12423375 0.92 AKT3 (0.49) AKT3CDK2CDK1CCNB1
SCHEMBL12423346 0.91 AKT3 (0.49) AKT3
SCHEMBL12423311 0.90 ROCK1 (0.47) AKT3CDK2DYRK1ACDK1
SCHEMBL13154124 0.89 AKT3 (0.44) AKT3CDK2CDK4CCNT1CDK1
SCHEMBL12423276 0.88 AKT3 (0.54) AKT3
SCHEMBL12423361 0.88 AKT3 (0.53) AKT3CDK2CDK4
SCHEMBL12423256 0.87 AKT3 (0.52) AKT3CDK2DYRK1ACDK1

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 AKT3 340/4885CDK2 110/4885CDK4 240/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 AKT3 340/4885CDK2 110/4885CDK4 240/4885

“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.