SCHEMBL9713568

SCHEMBL9713568

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.41
DPP4 P27487 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.30
GAA P10253 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
SCHEMBL4079532 0.81 MCL1 (0.41) MCL1DPP4MEN1KMT2AALDH1A1
SCHEMBL769718 0.81 MCL1 (0.39) MCL1
SCHEMBL1013199 0.79 MCL1 (0.38) MCL1
SCHEMBL133731 0.77
SCHEMBL21214433 0.76 CES2 (0.39) MCL1MEN1KMT2A
SCHEMBL19226576 0.76 CES2 (0.39) MCL1MEN1KMT2A
SCHEMBL1011084 0.75
SCHEMBL5463212 0.75 MCL1 (0.42) MCL1DPP4KMT2AALDH1A1
SCHEMBL1583542 0.74 MCL1 (0.40) MCL1MEN1KMT2A
SCHEMBL1013617 0.73 MCL1 (0.41) MCL1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562052-B2 Bicyclicpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2017-02-07 US disclosed
EP-2888245-B1 NEW BICYCLICPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-09-21 EP disclosed
US-20150368256-A1 NEW BICYCLICPYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-12-24 US disclosed
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
EP-0135252-A2 Process for preparing 3-substituted-3-aminonitrile ELI LILLY AND COMPANY (US) 1985-03-27 EP disclosed
EP-0129408-A2 (3-alkyl-5-isothiazolyl)ureas ELI LILLY AND COMPANY (US) 1984-12-27 EP disclosed
EP-0049071-B1 N-ARYLBENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-12-19 EP disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
US-4411753-A Synthesis of 6-t-alkyl-3-pyridazinones ELI LILLY AND COMPANY (US) 1983-10-25 US disclosed
US-4398044-A Synthesis of acetyl-T-alkanes ELI LILLY AND COMPANY (US) 1983-08-09 US disclosed
US-4378314-A FOR PENICILLINS AND CEPHALOSPORINS BRISTOL MYERS COMPANY (US) 1983-03-29 US disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP disclosed
US-4272437-A PENICILLINS BRISTOL-MYERS COMPANY (US) 1981-06-09 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 (1 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-20150368256-A1 NEW BICYCLICPYRIDINE DERIVATIVES CACNA1E, CHRM1, CHRM2 MCL1 422/4885DPP4 2966/4885MEN1 906/4885

“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.