SCHEMBL12423375

SCHEMBL12423375

Cc1cccc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(C(C)O)c4)n3)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 11/20 0.49
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
SYK P43405 2/20 0.41
SRC P12931 1/20 0.41
CDK2 P24941 1/20 0.41
ZAP70 P43403 1/20 0.41
BTK Q06187 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
RET P07949 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
HDAC1 Q13547 1/20 0.41
MMP13 P45452 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
CAMK2D Q13557 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
SCHEMBL12423308 0.92 AKT3 (0.54) AKT3SYKBTKHDAC1CAMK2D
SCHEMBL12423258 0.92 AKT3 (0.49) AKT3CDK2CDK1CCNB1
SCHEMBL12423346 0.91 AKT3 (0.49) AKT3SYKBTK
SCHEMBL12423311 0.90 ROCK1 (0.47) AKT3SYKCDK2CDK1RET
SCHEMBL13154120 0.89 AKT3 (0.50) AKT3CDK2BTKCAMK2D
SCHEMBL13154135 0.89 AKT3 (0.54) AKT3CDK2CDK1
SCHEMBL12423361 0.88 AKT3 (0.53) AKT3CDK2
SCHEMBL12423276 0.88 AKT3 (0.54) AKT3SYK
SCHEMBL14500316 0.88 AKT3 (0.52) AKT3ABL1BCRSYKSRC
SCHEMBL12423256 0.87 AKT3 (0.52) AKT3SYKCDK2BTKCDK1

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 340/4885ABL1 45/4885BCR 981/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 AKT3 340/4885ABL1 45/4885BCR 981/4885

“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.