SCHEMBL12423729

SCHEMBL12423729

CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)N4CCOCC4)cs3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.55
CDK2 P24941 3/20 0.55
CCNT1 O60563 1/20 0.55
CCNB1 P14635 1/20 0.55
CCNA2 P20248 1/20 0.55
CDK7 P50613 1/20 0.55
CDK9 P50750 1/20 0.55
CCNH P51946 1/20 0.55
SYK P43405 7/20 0.45
JAK2 O60674 3/20 0.45
BTK Q06187 1/20 0.45
IKBKB O14920 2/20 0.44
CHUK O15111 2/20 0.44
IKBKG Q9Y6K9 2/20 0.44
PLK4 O00444 1/20 0.44
SMG1 Q96Q15 3/20 0.44
JAK3 P52333 2/20 0.43
KIT P10721 1/20 0.42
FLT3 P36888 1/20 0.42
MTOR P42345 1/20 0.42

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
SCHEMBL12423731 0.92 IKBKB (0.52) CDK1CDK2CCNT1CCNB1CCNA2
SCHEMBL12423734 0.92 IKBKB (0.51) CDK1CDK2CCNT1CCNB1CCNA2
SCHEMBL938750 0.91 PLK4 (0.50) CDK1CDK2CCNT1CCNB1CCNA2
SCHEMBL12423736 0.89 SYK (0.48) CDK1CDK2CCNT1CCNB1CCNA2
SCHEMBL12423444 0.88 CDK1 (0.56) CDK1CDK2CCNT1CCNB1CCNA2
SCHEMBL938293 0.83 IKBKB (0.57) CDK1CDK2SYKIKBKBCHUK
SCHEMBL12423714 0.82 CAMK2D (0.52) CDK1CDK2CCNT1CCNB1CCNA2
SCHEMBL937376 0.82 IKBKB (0.56) CDK1CDK2SYKJAK2BTK
SCHEMBL12423725 0.82 CAMK2D (0.44) CDK2SYKIKBKB
SCHEMBL12423716 0.82 STK17A (0.46) JAK2IKBKB

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 CDK1 277/4885CDK2 110/4885CCNT1 2289/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 CDK1 277/4885CDK2 110/4885CCNT1 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.