SCHEMBL1900516

SCHEMBL1900516

CN(CCO)C(=O)CC#N

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.37
CNR1 P21554 1/20 0.37
CASP1 P29466 1/20 0.35
MAPT P10636 2/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DPP4 P27487 2/20 0.32

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
SCHEMBL14417883 0.84 MCL1 (0.38) MCL1CASP1MAPTALDH1A1DPP4
SCHEMBL14673211 0.83 MCL1 (0.37) MCL1CASP1MAPTCHRNB2CHRNA4
SCHEMBL8015541 0.77 MCL1 (0.39) MCL1
SCHEMBL9653268 0.77
SCHEMBL14417885 0.76 MCL1 (0.53) MCL1MAPTALDH1A1
SCHEMBL3263776 0.76
SCHEMBL30740976 0.75 ALDH1A1 (0.39) MCL1CASP1ALDH1A1DPP4
SCHEMBL30740904 0.74 MVD (0.40) MCL1CASP1DPP4
SCHEMBL3023839 0.74 CNR1 (0.50) CNR1MAPTCHRNB2CHRNB4CHRNA3
SCHEMBL14370361 0.74 MAPT (0.43) CNR1MAPTCHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505766-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-29 US disclosed
US-20150045343-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-12 US disclosed
EP-2558099-A2 KINASE INHIBITORS The Regents Of The University Of California, San Francisco (US) 2013-02-20 EP disclosed
US-20130035325-A1 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-07 US disclosed
WO-2011060440-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 WO disclosed
WO-2011060440-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 WO disclosed
EP-0376590-B1 Monomer or polymer composition derived from acryloxy alkyl cyanoacetamides ROHM & HAAS (US) 1994-11-30 EP disclosed
US-5021511-A Reacted with carbon-michael addition acceptor; coatings, adhesives, caulks, mastics; nonhydrolyzing ROHM AND HAAS COMPANY (US) 1991-06-04 US disclosed
EP-0376590-A2 Monomer or polymer composition derived from acryloxy alkyl cyanoacetamides ROHM AND HAAS COMPANY (US) 1990-07-04 EP disclosed
US-3985763-A DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-10-12 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-20130035325-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K8 MCL1 416/4885CNR1 2917/4885CASP1 2662/4885
US-20150045343-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K8 MCL1 416/4885CNR1 2917/4885CASP1 2662/4885

“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.