SCHEMBL12423728

SCHEMBL12423728

CCN(CC)C(=O)c1csc(-c2ccnc(Nc3cccc(C(C)O)c3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 8/20 0.43
IKBKB O14920 1/20 0.42
CDK1 P06493 3/20 0.40
MTOR P42345 2/20 0.40
SMG1 Q96Q15 2/20 0.40
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
SRC P12931 2/20 0.39
PIK3CG P48736 2/20 0.39
MAPK8 P45983 1/20 0.39
GSK3B P49841 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
PRKCA P17252 1/20 0.39
CDK2 P24941 3/20 0.38
MAPT P10636 1/20 0.38
CCNT1 O60563 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38

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
SCHEMBL12423725 0.90 CAMK2D (0.44) CAMK2DIKBKBABL1BCRSRC
SCHEMBL12423718 0.88 CAMK2D (0.43) CAMK2DIKBKBCDK1ABL1BCR
SCHEMBL12423713 0.86 CAMK2D (0.43) CAMK2DIKBKBABL1BCRSRC
SCHEMBL12423735 0.85 ADORA2A (0.45) CAMK2DIKBKBPIK3CGMAPK8GSK3B
SCHEMBL12423248 0.85 IKBKB (0.43) CAMK2DIKBKBCDK1MTORSMG1
SCHEMBL12423714 0.85 CAMK2D (0.52) CAMK2DIKBKBCDK1ABL1BCR
SCHEMBL2198087 0.85 CAMK2D (0.43) CAMK2DIKBKBABL1BCRSRC
SCHEMBL12423716 0.84 STK17A (0.46) CAMK2DIKBKBABL1BCRSRC
SCHEMBL12423719 0.82 CAMK2D (0.45) CAMK2DIKBKBABL1BCRSRC
SCHEMBL12423736 0.81 SYK (0.48) CAMK2DIKBKBCDK1CDK2CCNT1

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 9 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
WO-2007053776-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-10 WO 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 CAMK2D 313/4885IKBKB 553/4885CDK1 277/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 CAMK2D 313/4885IKBKB 553/4885CDK1 277/4885

“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.