SCHEMBL4079532

SCHEMBL4079532

CCC(C)(C)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
SCHEMBL22519796 0.82 MCL1 (0.41) MCL1DPP4MEN1KMT2AALDH1A1
SCHEMBL769518 0.81 MCL1 (0.39) MCL1
SCHEMBL9713568 0.81 MCL1 (0.41) MCL1DPP4MEN1KMT2AALDH1A1
SCHEMBL330556 0.79 MCL1 (0.38) MCL1
SCHEMBL28031057 0.79 MCL1 (0.38) MCL1
SCHEMBL22833607 0.77 MCL1 (0.37) MCL1
SCHEMBL133731 0.77
SCHEMBL4075198 0.76 MCL1 (0.35) MCL1
SCHEMBL1015369 0.76 MCL1 (0.35) MCL1
SCHEMBL14234360 0.76 CES2 (0.39) MCL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115667253-B Compounds useful for inhibiting RET kinase 伊莱利利公司 2025-06-17 CN disclosed
CN-116438179-A Pyrazole derivatives as RET kinase inhibitors 伊莱利利公司 2023-07-14 CN disclosed
WO-2022098970-A9 PYRAZOLE DERIVATIVES AS RET KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2023-04-27 WO disclosed
CN-115667253-A Compounds useful for inhibition of RET kinase 伊莱利利公司 2023-01-31 CN disclosed
WO-2022098970-A1 PYRAZOLE DERIVATIVES ASR ET KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2022-05-12 WO disclosed
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-8076356-B2 Triazolopyridinylsulfanyl derivatives as P38 map kinase inhibitors PFIZER INC. (US) 2011-12-13 US disclosed
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors PFIZER INC. 2009-09-24 US disclosed
EP-1778686-B9 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2009-07-08 EP disclosed
US-7511057-B2 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. (US) 2009-03-31 US disclosed
EP-1778686-B1 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2008-10-29 EP disclosed
EP-1778686-A2 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS Pfizer Limited (GB) 2007-05-02 EP disclosed
WO-2006018718-A2 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LIMITED (GB) 2006-02-23 WO disclosed
US-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. 2006-02-16 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 (3 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-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors MAPK1, MAPKAPK5, MAPKAPK3 MCL1 4136/4885DPP4 3678/4885MEN1 4865/4885
US-20150368256-A1 NEW BICYCLICPYRIDINE DERIVATIVES CACNA1E, CHRM1, CHRM2 MCL1 422/4885DPP4 2966/4885MEN1 906/4885
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors MAPK1, MAPKAPK5, MAPKAPK3 MCL1 4162/4885DPP4 3509/4885MEN1 4865/4885

“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.