SCHEMBL2382579

SCHEMBL2382579

O=C(Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1)c1cccnc1S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.43
AURKB Q96GD4 12/20 0.43
CDK1 P06493 8/20 0.43
CCNB1 P14635 8/20 0.43
CDK2 P24941 7/20 0.43
PDPK1 O15530 1/20 0.41
F10 P00742 1/20 0.41
JAK2 O60674 3/20 0.40
JAK3 P52333 3/20 0.40
FGFR1 P11362 2/20 0.39
FGFR2 P21802 2/20 0.39
FGFR3 P22607 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BMPR1B O00238 1/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 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
SCHEMBL1645308 0.87 AURKA (0.41) AURKAAURKBCDK1CCNB1CDK2
SCHEMBL12582690 0.87 PDPK1 (0.43) AURKAAURKBCDK1CCNB1CDK2
SCHEMBL12304231 0.84 AURKA (0.53) AURKAAURKBCDK1CCNB1CDK2
SCHEMBL8300923 0.84 ACKR3 (0.46) AURKAAURKBCDK1CCNB1CDK2
SCHEMBL8302956 0.83 AURKA (0.49) AURKAAURKBCDK1CCNB1CDK2
SCHEMBL8305065 0.82 AURKA (0.45) AURKAAURKBCDK1CCNB1CDK2
SCHEMBL13446057 0.82 AURKA (0.42) AURKAAURKBCDK1CCNB1CDK2
SCHEMBL8305800 0.81 LMNA (0.49) AURKAAURKBCDK1CCNB1CDK2
SCHEMBL8300921 0.81 AURKA (0.43) AURKAAURKBCDK1CCNB1CDK2
SCHEMBL8299872 0.81 AURKB (0.53) AURKAAURKBCDK1CCNB1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2011-09-15 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 (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-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 AURKA 4/4885AURKB 6/4885CDK1 1/4885

“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.