SCHEMBL2931701

SCHEMBL2931701

S=C=Nc1ncccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.43
MIF P14174 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
PKM P14618 1/20 0.32
DPP4 P27487 1/20 0.32
FBP1 P09467 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
HSP90AA1 P07900 2/20 0.32
MAPT P10636 2/20 0.32
CCR1 P32246 1/20 0.32
CCR8 P51685 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PLAU P00749 1/20 0.32
BRD4 O60885 1/20 0.32
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
NFE2L2 Q16236 2/20 0.31

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
SCHEMBL28051639 0.80 TDP1 (0.38) GABRA1GABRB2TDP1PKMLMNA
SCHEMBL7388303 0.78 APLNR (0.58) APLNRMIFGABRA1GABRB2TDP1
SCHEMBL28344871 0.76 TDP1 (0.39) TDP1DPP4KDM4ELMNAHSP90AA1
SCHEMBL2924950 0.76 PLAU (0.52) APLNRMIFGABRA1GABRB2KDM4E
SCHEMBL384468 0.76 APLNR (0.43) APLNRMIFKDM4ELMNAL3MBTL1
SCHEMBL3223751 0.76 APLNR (0.43) APLNRMIFTDP1KDM4ELMNA
SCHEMBL29435535 0.76 PLAU (0.52) APLNRMIFGABRA1GABRB2KDM4E
SCHEMBL3667173 0.76 APLNR (0.33) APLNRMIF
SCHEMBL21189180 0.72
SCHEMBL30525684 0.72 APLNR (0.32) APLNRMIF

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102791718-B Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB CO. (US) 2015-11-25 CN disclosed
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
US-3984549-A FUNGICIDES MERCK & CO., INC. (US) 1976-10-05 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 APLNR 4296/4885MIF 2687/4885GABRA1 3749/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB APLNR 4296/4885MIF 2687/4885GABRA1 3749/4885

“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.