SCHEMBL2931459

SCHEMBL2931459

Cc1ccc(Cl)cc1Nc1nc2ccc(C(=O)O)cc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
TDP1 Q9NUW8 2/20 0.53
HSP90AA1 P07900 1/20 0.53
ESR2 Q92731 1/20 0.53
CHEK2 O96017 5/20 0.52
MAPT P10636 1/20 0.46
AKR1C3 P42330 2/20 0.46
KDM1A O60341 2/20 0.46
HRH4 Q9H3N8 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIK3CA P42336 1/20 0.44

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
SCHEMBL2929913 0.88 POLB (0.68) POLBTDP1HSP90AA1ESR2CHEK2
SCHEMBL2929642 0.86 TDP1 (0.53) POLBTDP1HSP90AA1ESR2CHEK2
SCHEMBL2929209 0.86 POLB (0.68) POLBTDP1HSP90AA1ESR2CHEK2
SCHEMBL2931483 0.82 POLB (0.85) POLBTDP1HSP90AA1ESR2CHEK2
SCHEMBL2929579 0.81 HSP90AA1 (0.56) POLBTDP1HSP90AA1ESR2MAPT
SCHEMBL2931581 0.81 POLB (0.55) POLBTDP1HSP90AA1ESR2CHEK2
SCHEMBL1968399 0.79 POLB (0.58) POLBCHEK2MAPTAKR1C3KDM1A
SCHEMBL14668723 0.78 HSP90AA1 (0.55) POLBTDP1HSP90AA1ESR2CHEK2
SCHEMBL2924505 0.76 POLB (0.58) POLBCHEK2AKR1C3KDM4EALDH1A1
SCHEMBL2933099 0.76 HSP90AA1 (0.52) POLBTDP1HSP90AA1ESR2AKR1C3

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-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
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 1990/4885TDP1 871/4885HSP90AA1 2493/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB POLB 1990/4885TDP1 871/4885HSP90AA1 2493/4885

“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.