SCHEMBL12423735

SCHEMBL12423735

CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)N(C)Cc4ccccc4)cs3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.45
CAMK2D Q13557 8/20 0.44
IKBKB O14920 1/20 0.43
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.40
MAPK8 P45983 2/20 0.40
PIK3CG P48736 2/20 0.40
GSK3B P49841 2/20 0.40
CAMKK2 Q96RR4 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SYK P43405 3/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ROCK2 O75116 1/20 0.39
GRK2 P25098 1/20 0.39

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 0.88 CAMK2D (0.44) CAMK2DIKBKBMAPK8PIK3CGGSK3B
SCHEMBL12423257 0.87 HSD17B2 (0.46) ADORA2ACAMK2DIKBKBHSD17B1HSD17B2
SCHEMBL12423718 0.86 CAMK2D (0.43) CAMK2DIKBKBMAPK8PIK3CGGSK3B
SCHEMBL12423728 0.85 CAMK2D (0.43) CAMK2DIKBKBMAPK8PIK3CGGSK3B
SCHEMBL12423719 0.85 CAMK2D (0.45) CAMK2DIKBKBMAPK8PIK3CGGSK3B
SCHEMBL12423714 0.82 CAMK2D (0.52) CAMK2DIKBKBMAPK8PIK3CGGSK3B
SCHEMBL2198087 0.81 CAMK2D (0.43) CAMK2DIKBKBMAPK8PIK3CGGSK3B
SCHEMBL12423713 0.81 CAMK2D (0.43) CAMK2DIKBKBMAPK8PIK3CGGSK3B
SCHEMBL12423716 0.81 STK17A (0.46) CAMK2DIKBKBMAPK8PIK3CGGSK3B
SCHEMBL12423232 0.79 AKT3 (0.47) CAMK2DIKBKBMAPK8PIK3CGGSK3B

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 ADORA2A 1971/4885CAMK2D 313/4885IKBKB 553/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 ADORA2A 1971/4885CAMK2D 313/4885IKBKB 553/4885

“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.