SCHEMBL12423285

SCHEMBL12423285

CCNC(=O)c1ccc(-c2ccnc(Nc3cccc(C(C)O)c3)n2)s1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 17/20 0.48
IKBKB O14920 1/20 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
CDK2 P24941 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
CAMK2D Q13557 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
SCHEMBL12423244 0.92 AKT3 (0.50) AKT3IKBKBCCNT1CDK1CCNB1
SCHEMBL2198523 0.91 AKT3 (0.47) AKT3IKBKB
SCHEMBL12423272 0.90 AKT3 (0.46) AKT3IKBKBCCNT1CDK1CCNB1
SCHEMBL12423308 0.89 AKT3 (0.54) AKT3IKBKBCAMK2D
SCHEMBL13154120 0.88 AKT3 (0.50) AKT3IKBKBCDK2CAMK2D
SCHEMBL12423250 0.88 AKT3 (0.67) AKT3IKBKBCAMK2D
SCHEMBL13154135 0.88 AKT3 (0.54) AKT3CDK1CDK2CDK7CDK9
SCHEMBL12423687 0.88 IKBKB (0.44) AKT3IKBKBCCNT1CDK1CCNB1
SCHEMBL2196144 0.87 IKBKB (0.47) IKBKBCCNT1CDK1CCNB1CCNA2
SCHEMBL12423686 0.87 IKBKB (0.52) AKT3IKBKBCCNT1CDK1CCNB1

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 340/4885IKBKB 553/4885CCNT1 2289/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 AKT3 340/4885IKBKB 553/4885CCNT1 2289/4885

“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.