SCHEMBL2930754

SCHEMBL2930754

CCN(CC)c1cc2[nH]c(Nc3ccccc3C(F)(F)F)nc2cc1C(=O)Nc1nc2ccccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.48
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44
USP2 O75604 3/20 0.41
USP8 P40818 2/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
PKM P14618 1/20 0.40
PAX8 Q06710 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CASP3 P42574 3/20 0.39
SENP8 Q96LD8 3/20 0.39
SENP7 Q9BQF6 3/20 0.39
SENP6 Q9GZR1 3/20 0.39
TMIGD3 P0DMS9 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL2929849 0.83 RAF1 (0.51) PTGESRAF1BRAFNPC1RAB9A
SCHEMBL2930752 0.82 KDR (0.45) PTGESRAF1BRAFNPC1RAB9A
SCHEMBL2931582 0.81 LMNA (0.46) PTGESRAF1BRAFUSP2USP8
SCHEMBL2930137 0.81 TOP1 (0.51) PTGESNPC1RAB9AL3MBTL1MEN1
SCHEMBL2926237 0.80 ALDH1A1 (0.45) PTGESRAF1BRAFUSP2USP8
Hydrochloric Acid SCHEMBL3618134 0.79 ALDH1A1 (0.44) PTGESRAF1BRAFUSP2USP8
SCHEMBL2933012 0.79 RAF1 (0.47) PTGESRAF1BRAFNPC1RAB9A
SCHEMBL2932514 0.78 RAF1 (0.48) PTGESRAF1BRAFNPC1RAB9A
SCHEMBL2928418 0.77 RAF1 (0.48) PTGESRAF1BRAFKMT2A
SCHEMBL2932056 0.76 RAF1 (0.49) PTGESRAF1BRAFNPC1RAB9A

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 PTGES 4564/4885RAF1 427/4885BRAF 351/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB PTGES 4564/4885RAF1 427/4885BRAF 351/4885

“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.