SCHEMBL2931483

SCHEMBL2931483

O=C(O)c1ccc2nc(Nc3ccc(Cl)cc3)[nH]c2c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.85
CHEK2 O96017 5/20 0.61
PIK3CA P42336 2/20 0.61
AKR1C3 P42330 1/20 0.56
HSP90AA1 P07900 1/20 0.52
ESR2 Q92731 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
RAF1 P04049 1/20 0.49
DGAT1 O75907 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PIK3CD O00329 1/20 0.48
MTOR P42345 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL2931563 0.87 POLB (0.69) POLBCHEK2PIK3CAAKR1C3HSP90AA1
SCHEMBL2929209 0.84 POLB (0.68) POLBCHEK2PIK3CAAKR1C3HSP90AA1
SCHEMBL2929913 0.84 POLB (0.68) POLBCHEK2PIK3CAAKR1C3HSP90AA1
SCHEMBL2931459 0.82 POLB (0.65) POLBCHEK2PIK3CAAKR1C3HSP90AA1
SCHEMBL2930881 0.82 POLB (0.62) POLBCHEK2PIK3CAAKR1C3HSP90AA1
SCHEMBL4166869 0.81 POLB (0.61) POLBCHEK2PIK3CAAKR1C3RAF1
SCHEMBL1965467 0.81 POLB (0.60) POLBCHEK2PIK3CAAKR1C3HSP90AA1
SCHEMBL2929926 0.79 AKR1C3 (0.66) POLBCHEK2PIK3CAAKR1C3HSP90AA1
SCHEMBL3767781 0.78 AKR1C3 (0.73) POLBAKR1C3NPC1RAB9ASMN1; SMN2
SCHEMBL20819207 0.77 HSP90AA1 (0.60) POLBCHEK2PIK3CAAKR1C3HSP90AA1

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-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB POLB 1990/4885CHEK2 14/4885PIK3CA 21/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB POLB 1990/4885CHEK2 14/4885PIK3CA 21/4885

“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.