SCHEMBL15720906

SCHEMBL15720906

CC(C)Nc1c(-c2cccc(Cl)c2)nc2ccc(C(F)(F)F)cn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 14/20 1.00
▸ NR1H4 Q96RI1 1/20 0.48
▸ ALOX5 P09917 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ ATM Q13315 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MAPT P10636 1/20 0.44

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
SCHEMBL15720730 0.86 TRPA1 (1.00) TRPA1NR1H4ATMKDM4EMAPT
SCHEMBL15720379 0.85 TRPA1 (1.00) TRPA1NR1H4ATM
SCHEMBL15719501 0.84 TRPA1 (1.00) TRPA1NR1H4ALOX5EPHX2ATM
SCHEMBL17052786 0.84 TRPA1 (0.82) TRPA1NR1H4ALOX5ATMMAPT
SCHEMBL15739987 0.83 TRPA1 (1.00) TRPA1NR1H4MAPT
SCHEMBL15720616 0.75 TRPA1 (1.00) TRPA1MAPT
SCHEMBL15720380 0.75 TRPA1 (0.62) TRPA1NR1H4ATMKDM4EHSD17B10
SCHEMBL15740030 0.73 TRPA1 (1.00) TRPA1MAPT
SCHEMBL15720556 0.72 TRPA1 (1.00) TRPA1MAPT
SCHEMBL15740054 0.70 TRPA1 (1.00) TRPA1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394304-B2 Imidazopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-07-19 — — US claimed
EP-2920169-A1 IMIDAZOPYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-09-23 — — EP claimed
US-20150246918-A1 IMIDAZOPYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-09-03 — — US claimed
WO-2014076021-A1 IMIDAZOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-05-22 — — WO claimed
US-9394304-B2 Imidazopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-07-19 — — US disclosed
US-9394304-B2 Imidazopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-07-19 — — US disclosed
EP-2920169-A1 IMIDAZOPYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-09-23 — — EP disclosed
US-20150246918-A1 IMIDAZOPYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-09-03 — — US disclosed
US-20150246918-A1 IMIDAZOPYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-09-03 — — US disclosed
WO-2014076021-A1 IMIDAZOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-05-22 — — WO disclosed
WO-2014076021-A1 IMIDAZOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-05-22 — — 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 (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-20150246918-A1 IMIDAZOPYRIDINE DERIVATIVES QDPR, ADRB3, HRH4 TRPA1 882/4885NR1H4 1220/4885ALOX5 4635/4885

“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.

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