SCHEMBL2933728

SCHEMBL2933728

CN1CCCN(c2cc3[nH]c(Nc4nccn4C4CCCC4)nc3cc2C(=O)Nc2ccc3cn[nH]c3c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TRPV1 Q8NER1 6/20 0.38
PDE7A Q13946 2/20 0.38
ROCK2 O75116 2/20 0.36
PDGFRB P09619 2/20 0.36
PDGFRA P16234 2/20 0.36
ROCK1 Q13464 1/20 0.36
MET P08581 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 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
SCHEMBL13086257 0.93 ROCK2 (0.41) TRPV1ROCK2ROCK1NPC1RAB9A
SCHEMBL13086054 0.91 LMNA (0.39) LMNAUSP2MAPK1HSD17B10TRPV1
SCHEMBL13086216 0.91 TRPV1 (0.39) LMNAUSP2MAPK1HSD17B10TRPV1
SCHEMBL2933750 0.91 TRPV1 (0.41) LMNAUSP2MAPK1HSD17B10TRPV1
SCHEMBL13086075 0.91 ATR (0.41) LMNAUSP2MAPK1HSD17B10TRPV1
SCHEMBL2930761 0.89 TRPV1 (0.39) LMNAUSP2MAPK1HSD17B10TRPV1
SCHEMBL13315775 0.85 EGFR (0.38) PDE7ANPC1RAB9AMAPTEGFR
SCHEMBL2930046 0.85 PDE7A (0.43) PDE7A
SCHEMBL2933174 0.84 KEAP1 (0.39) PDE7A
SCHEMBL2927581 0.84 GOT1 (0.38) TRPV1PDE7A

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 LMNA 1520/4885USP2 2536/4885MAPK1 1145/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB LMNA 1520/4885USP2 2536/4885MAPK1 1145/4885

“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.