SCHEMBL17351504

SCHEMBL17351504

CC1(C(=O)CC#N)CCCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.37
DPP4 P27487 5/20 0.36
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR3 O14843 1/20 0.32
CTSL P07711 2/20 0.32
CTSB P07858 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL371371 0.98 DPP4 (0.37) MCL1DPP4HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL16541488 0.98 DPP4 (0.37) MCL1DPP4HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL18692589 0.96 MCL1 (0.37) MCL1DPP4HSD17B10ALDH1A1FFAR3
SCHEMBL283516 0.91
SCHEMBL12282538 0.82 RIPK1 (0.35) MCL1DPP4
SCHEMBL16784430 0.80
SCHEMBL12614640 0.77 MEN1 (0.31) MCL1ALDH1A1FFAR3KMT2AKDM4E
SCHEMBL1255072 0.77 MCL1 (0.35) MCL1ALDH1A1KMT2ACYP3A4
SCHEMBL16866560 0.77 MCL1 (0.35) MCL1ALDH1A1KMT2ACYP3A4
SCHEMBL24410355 0.75 MCL1 (0.34) MCL1KMT2A

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
CN-104583197-B New bicyclicpyridine derivatives 霍夫曼-拉罗奇有限公司 2017-05-17 CN disclosed
US-9562052-B2 Bicyclicpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2017-02-07 US disclosed
US-9562052-B2 Bicyclicpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2017-02-07 US 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
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

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 2966/4885HSD17B10 3662/4885

“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.