SCHEMBL1899348

SCHEMBL1899348

CC(C)(CO)NC(=O)CC#N

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.50
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 6/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 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
SCHEMBL1904226 0.83 MCL1 (0.50) MCL1ALDH1A1KMT2AGAAKDM4E
SCHEMBL1898376 0.80 MCL1 (0.56) MCL1ALDH1A1KMT2AGAAKDM4E
SCHEMBL8063164 0.78 MCL1 (0.48) MCL1ALDH1A1KMT2AGAAKDM4E
SCHEMBL8072031 0.76 MCL1 (0.48) MCL1ALDH1A1KMT2AGAAKDM4E
SCHEMBL12927515 0.75 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4ENPC1HPGD
SCHEMBL8076403 0.75 MCL1 (0.45) MCL1ALDH1A1KMT2AGAAKDM4E
SCHEMBL23133546 0.73 ALDH1A1 (0.42) DPP4ALDH1A1KMT2ANPC1HPGD
SCHEMBL8076234 0.73 MCL1 (0.47) MCL1ALDH1A1KMT2AGAAKDM4E
SCHEMBL14756447 0.73 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4ENPC1HPGD
SCHEMBL29261236 0.73 POLB (0.40) ALDH1A1KMT2ANPC1HPGDRAB9A

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
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
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
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

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 416/4885DPP4 3315/4885ALDH1A1 3765/4885
US-20150045343-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K8 MCL1 416/4885DPP4 3315/4885ALDH1A1 3765/4885

“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.