SCHEMBL10801482

SCHEMBL10801482

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.38
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1013617 0.81 MCL1 (0.41) MCL1
SCHEMBL133731 0.75
SCHEMBL5463212 0.73 MCL1 (0.42) MCL1ALDH1A1MAPTKMT2A
SCHEMBL1011084 0.73
SCHEMBL10769371 0.71
SCHEMBL27987112 0.71
SCHEMBL1012319 0.71
SCHEMBL15571415 0.70 MCL1 (0.39) MCL1ALDH1A1
SCHEMBL769718 0.70 MCL1 (0.39) MCL1
SCHEMBL18213897 0.70 CES1 (0.38) MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790209-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-10-17 US disclosed
US-20160340343-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-11-24 US disclosed
US-20150225373-A1 KINASE INHIBITORS TOPIVERT PHARMA LIMITED (GB) 2015-08-13 US disclosed
EP-0129928-B1 OXAZOLYL-SUBSTITUTED DIAZAHETEROCYCLES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-09-02 EP disclosed
US-4500345-A IOSTEMERGENCE AND PREEMERGENCE HERBICIDES SHELL OIL COMPANY (US) 1985-02-19 US disclosed
US-4493728-A HERBICIDES SHELL OIL COMPANY (US) 1985-01-15 US disclosed
EP-0129928-A1 Oxazolyl-substituted diazaheterocycles SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1985-01-02 EP 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-20150225373-A1 KINASE INHIBITORS SYK, SRC, BTK MCL1 2082/4885MEN1 4160/4885ALDH1A1 2504/4885
US-20160340343-A1 KINASE INHIBITORS SYK, LYN, BTK MCL1 2009/4885MEN1 4438/4885ALDH1A1 2404/4885

“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.