SCHEMBL2929642

SCHEMBL2929642

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
HSP90AA1 P07900 1/20 0.53
ESR2 Q92731 1/20 0.53
NR4A2 P43354 1/20 0.53
POLB P06746 2/20 0.50
KDR P35968 2/20 0.50
MAPK1 P28482 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
PTGS1 P23219 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CHEK2 O96017 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 2/20 0.46
MAPT P10636 1/20 0.46
AKR1C3 P42330 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
PIK3CA P42336 1/20 0.44
PTPN1 P18031 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ABCC4 O15439 1/20 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
SCHEMBL2931459 0.86 POLB (0.65) TDP1HSP90AA1ESR2POLBCHEK2
SCHEMBL2931563 0.82 POLB (0.69) TDP1HSP90AA1ESR2NR4A2POLB
SCHEMBL2929579 0.81 HSP90AA1 (0.56) TDP1HSP90AA1ESR2NR4A2POLB
SCHEMBL2933099 0.81 HSP90AA1 (0.52) TDP1HSP90AA1ESR2NR4A2POLB
SCHEMBL2934474 0.80 AKR1C3 (0.54) TDP1HSP90AA1ESR2NR4A2POLB
SCHEMBL2930881 0.79 POLB (0.62) TDP1HSP90AA1ESR2NR4A2POLB
SCHEMBL2929926 0.79 AKR1C3 (0.66) TDP1HSP90AA1ESR2NR4A2POLB
SCHEMBL14668723 0.78 HSP90AA1 (0.55) TDP1HSP90AA1ESR2NR4A2POLB
SCHEMBL2927341 0.77 LMNA (0.65) TDP1HSP90AA1ESR2POLBKDR
SCHEMBL2931581 0.76 POLB (0.55) TDP1HSP90AA1ESR2POLBKDR

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 TDP1 871/4885HSP90AA1 2493/4885ESR2 3652/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB TDP1 871/4885HSP90AA1 2493/4885ESR2 3652/4885

“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.