SCHEMBL2924892

SCHEMBL2924892

CN(C)C1CCN(c2cc3[nH]c(Nc4ccccc4C(F)(F)F)nc3cc2C(=O)Nc2ccc3cn[nH]c3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.45
TRPV1 Q8NER1 5/20 0.43
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BRAF P15056 3/20 0.38
CCR3 P51677 1/20 0.38
RAF1 P04049 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
CFTR P13569 1/20 0.37
CHRM5 P08912 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
ABL1 P00519 1/20 0.37

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
SCHEMBL13085979 0.92 TRPV1 (0.44) PTGESTRPV1HPGDNPC1RAB9A
SCHEMBL5133964 0.91 TRPV1 (0.45) PTGESTRPV1HPGDNPC1RAB9A
SCHEMBL2932419 0.90 TRPV1 (0.42) PTGESTRPV1HPGDNPC1RAB9A
SCHEMBL13086187 0.89 TRPV1 (0.45) PTGESTRPV1HPGDNPC1RAB9A
SCHEMBL13086210 0.89 TRPV1 (0.43) PTGESTRPV1HPGDNPC1RAB9A
SCHEMBL2929645 0.88 TRPV1 (0.40) PTGESTRPV1HPGDNPC1RAB9A
SCHEMBL5135117 0.88 HPGD (0.43) PTGESTRPV1HPGDNPC1RAB9A
SCHEMBL2931877 0.87 TRPV1 (0.45) TRPV1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL13086064 0.87 TRPV1 (0.45) PTGESTRPV1HPGDNPC1RAB9A
SCHEMBL2929864 0.86 TRPV1 (0.47) PTGESTRPV1HPGDNPC1RAB9A

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 PTGES 4564/4885TRPV1 3399/4885HPGD 3750/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB PTGES 4564/4885TRPV1 3399/4885HPGD 3750/4885

“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.