SCHEMBL2929926

SCHEMBL2929926

O=C(O)c1ccc2nc(Nc3cccc(F)c3)[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.66
HDAC6 Q9UBN7 2/20 0.60
POLB P06746 1/20 0.58
MTOR P42345 1/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
NR4A2 P43354 1/20 0.52
CSNK2A1 P68400 4/20 0.50
CSNK2A2 P19784 2/20 0.50
CSNK2B P67870 2/20 0.50
PIK3CA P42336 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSP90AA1 P07900 1/20 0.49
ESR2 Q92731 1/20 0.49

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
SCHEMBL2930881 0.89 POLB (0.62) AKR1C3HDAC6POLBHDAC11HDAC3
SCHEMBL2931563 0.86 POLB (0.69) AKR1C3HDAC6POLBHDAC3HDAC1
SCHEMBL3766427 0.80 AKR1C3 (1.00) AKR1C3HDAC6POLBMTORHDAC11
SCHEMBL2934474 0.79 AKR1C3 (0.54) AKR1C3HDAC6POLBNR4A2PIK3CA
SCHEMBL2929642 0.79 TDP1 (0.53) AKR1C3HDAC6POLBNR4A2PIK3CA
SCHEMBL2931483 0.79 POLB (0.85) AKR1C3HDAC6POLBMTORPIK3CA
SCHEMBL2933099 0.78 HSP90AA1 (0.52) AKR1C3HDAC6POLBHDAC11NR4A2
SCHEMBL3120847 0.78 POLB (0.55) AKR1C3HDAC6POLBHDAC11NR4A2
SCHEMBL1965467 0.78 POLB (0.60) AKR1C3HDAC6POLBNR4A2PIK3CA
SCHEMBL2929452 0.77 AKR1C3 (0.71) AKR1C3HDAC6POLBHDAC11HDAC3

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 AKR1C3 944/4885HDAC6 251/4885POLB 1990/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB AKR1C3 944/4885HDAC6 251/4885POLB 1990/4885

“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.