SCHEMBL2934928

SCHEMBL2934928

CC(C)(C)OC(=O)NC1CCN(c2cc(N)c([N+](=O)[O-])cc2C(=O)Nc2ccc3cn[nH]c3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TRPV1 Q8NER1 3/20 0.39
BTK Q06187 1/20 0.39
HPGD P15428 1/20 0.39
RPS6KB1 P23443 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL2931610 0.91 LMNA (0.44) LMNAUSP2MAPK1HSD17B10RAB9A
SCHEMBL2930123 0.87 TRPV1 (0.47) LMNAUSP2MAPK1HSD17B10RAB9A
SCHEMBL2931009 0.84 TRPV1 (0.47) LMNAUSP2MAPK1HSD17B10RAB9A
SCHEMBL2926050 0.83 ATR (0.49) LMNAUSP2MAPK1HSD17B10RAB9A
SCHEMBL2932141 0.82 TRPV1 (0.45) LMNAUSP2MAPK1HSD17B10RAB9A
SCHEMBL2927844 0.81 NPC1 (0.43) LMNAUSP2MAPK1HSD17B10RAB9A
SCHEMBL2932080 0.78 TRPV1 (0.47) RAB9ANPC1TRPV1RPS6KB1KMT2A
SCHEMBL2928749 0.77 TRPV1 (0.52) LMNAUSP2MAPK1HSD17B10RAB9A
SCHEMBL2933104 0.75 NPC1 (0.46) LMNAUSP2MAPK1HSD17B10RAB9A
SCHEMBL2927407 0.74 TRPV1 (0.44) LMNAUSP2MAPK1HSD17B10RAB9A

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 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.