SCHEMBL2198512

SCHEMBL2198512

COc1ccc(Nc2nccc(-c3ccc(C(=O)NC(C)c4ccccc4)s3)n2)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.51
AURKA O14965 2/20 0.51
CDC7 O00311 1/20 0.51
KDR P35968 1/20 0.49
PLK1 P53350 1/20 0.49
PTK2 Q05397 1/20 0.49
GSK3B P49841 2/20 0.46
CHEK1 O14757 1/20 0.46
MAP4K4 O95819 1/20 0.46
PRKACA P17612 1/20 0.46
GRK5 P34947 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CDK8 P49336 1/20 0.46
GSK3A P49840 1/20 0.46
RPS6KA3 P51812 1/20 0.46
PRKX P51817 1/20 0.46
PRKCQ Q04759 1/20 0.46
ACVR1 Q04771 1/20 0.46
ROCK1 Q13464 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46

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
SCHEMBL12423321 1.00 AURKB (0.51) AURKBAURKACDC7KDRPLK1
SCHEMBL13181306 0.90 CAMK2D (0.47) AURKBAURKAGSK3BCHEK1MAP4K4
SCHEMBL13052286 0.88 C5 (0.46) AURKBAURKAGSK3BCHEK1MAP4K4
SCHEMBL12423703 0.88 C5 (0.46) AURKBAURKAGSK3BCHEK1MAP4K4
SCHEMBL4929463 0.87 AURKB (0.52) AURKBAURKAKDRPLK1PTK2
SCHEMBL4929513 0.87 AURKB (0.52) AURKBAURKAKDRPLK1PTK2
SCHEMBL12423379 0.86 ABL1 (0.45) AURKBAURKAGSK3BCHEK1MAP4K4
SCHEMBL2197498 0.86 ABL1 (0.45) AURKBAURKAGSK3BCHEK1MAP4K4
SCHEMBL3089691 0.85 AURKB (0.57) AURKBAURKACDC7KDRPLK1
SCHEMBL12423237 0.83 CAMK2D (0.48) AURKBAURKAGSK3BCHEK1MAP4K4

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 4 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
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 (1 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

“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.