SCHEMBL3089691

SCHEMBL3089691

COc1ccc(Nc2nccc(-c3ccc(C(=O)O)s3)n2)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 5/20 0.57
AURKA O14965 4/20 0.57
CDC7 O00311 1/20 0.57
KDR P35968 2/20 0.53
PLK1 P53350 1/20 0.53
PTK2 Q05397 1/20 0.53
CDK9 P50750 3/20 0.51
CCNT1 O60563 1/20 0.51
IKBKB O14920 5/20 0.46
CHUK O15111 2/20 0.46
IKBKG Q9Y6K9 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CSNK2A1 P68400 1/20 0.46
GSK3B P49841 3/20 0.44
SYK P43405 1/20 0.44
DKK1 O94907 1/20 0.44
PRKCA P17252 1/20 0.44
FLT3 P36888 2/20 0.43
CDK4 P11802 2/20 0.43

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
SCHEMBL2198512 0.85 AURKB (0.51) AURKBAURKACDC7KDRPLK1
SCHEMBL12423321 0.85 AURKB (0.51) AURKBAURKACDC7KDRPLK1
SCHEMBL12423184 0.84 AURKB (0.56) AURKBAURKACDC7KDRPLK1
SCHEMBL3098965 0.83 ABL1 (0.48) AURKBAURKACDC7KDRCDK9
SCHEMBL5069822 0.80 IKBKB (0.54) AURKBAURKAKDRPLK1PTK2
SCHEMBL2194717 0.78 ABL1 (0.58) AURKBAURKAIKBKBCHUKIKBKG
SCHEMBL4799864 0.77 CDK2 (0.71) AURKBAURKAKDRPLK1PTK2
SCHEMBL14378887 0.77 SYK (0.63) AURKBAURKACDC7KDRPLK1
SCHEMBL3097167 0.76 IKBKB (0.55) KDRIKBKBCHUKIKBKGGSK3B
SCHEMBL13154300 0.75 GSK3B (0.57) AURKBAURKAKDRPLK1PTK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 AURKB 184/4885AURKA 250/4885CDC7 318/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 AURKB 184/4885AURKA 250/4885CDC7 318/4885

“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.