SCHEMBL2931431

SCHEMBL2931431

Cc1cccnc1Nc1nc2cc(C(=O)O)c(N3CCC(N)CC3)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 10/20 0.42
PRKCA P17252 9/20 0.42
PTGES O14684 2/20 0.38
GSK3B P49841 4/20 0.37
FLT3 P36888 3/20 0.37
HTR2B P41595 3/20 0.37
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SORT1 Q99523 1/20 0.36
PARP1 P09874 1/20 0.35

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
SCHEMBL2926394 0.93 PRKCA (0.38) PRKCQPRKCAPTGESKMT2ALMNA
SCHEMBL2931752 0.92 LMNA (0.39) KMT2ALMNAGAAMEN1NPC1
SCHEMBL2930571 0.89 OPRL1 (0.38) KMT2ALMNAGAAMEN1NPC1
SCHEMBL2929641 0.89 KCNH2 (0.41) KMT2ALMNAGAAMEN1NPC1
SCHEMBL2930795 0.88 PIK3CA (0.43) KMT2ALMNAGAAMEN1NPC1
SCHEMBL2932302 0.88 F12 (0.38) KMT2ALMNAGAAMEN1NPC1
SCHEMBL13086046 0.83 TRPV1 (0.49) PRKCQPRKCAGSK3BFLT3KMT2A
SCHEMBL2929442 0.77 GAA (0.41) KMT2ALMNAGAAMEN1NPC1
SCHEMBL2928320 0.77 RAF1 (0.43) PRKCQPRKCAPTGESGSK3BFLT3
SCHEMBL2929182 0.76 GAA (0.39) KMT2ALMNAGAAMEN1NPC1

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 6 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
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 WO 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 PRKCQ 397/4885PRKCA 355/4885PTGES 4564/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB PRKCQ 397/4885PRKCA 355/4885PTGES 4564/4885

“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.