SCHEMBL15544702

SCHEMBL15544702

CS/C(=N\C#N)Nc1ccc(C#N)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.51
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
AR P10275 4/20 0.40
SLC22A12 Q96S37 4/20 0.40
BLM P54132 1/20 0.39
RORC P51449 3/20 0.38
TRPV4 Q9HBA0 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL15544706 1.00 IDO1 (0.51) IDO1ALDH1A1LMNAGAAAR
SCHEMBL15544746 0.89 IDO1 (0.40) IDO1ALDH1A1LMNAGAAAR
SCHEMBL15544748 0.89 IDO1 (0.40) IDO1ALDH1A1LMNAGAAAR
SCHEMBL15555645 0.85 IDO1 (0.37) IDO1ALDH1A1LMNAGAAAR
SCHEMBL15555643 0.85 IDO1 (0.37) IDO1ALDH1A1LMNAGAAAR
SCHEMBL15544492 0.84 ALDH1A1 (0.49) ALDH1A1LMNAGAA
SCHEMBL18856560 0.84 BLM (0.40) IDO1ALDH1A1LMNAGAAAR
SCHEMBL15544496 0.84 ALDH1A1 (0.49) ALDH1A1LMNAGAA
SCHEMBL15545119 0.84 IDO1 (0.36) IDO1ALDH1A1LMNAGAAAR
SCHEMBL15545116 0.84 IDO1 (0.36) IDO1ALDH1A1LMNAGAAAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2870143-B1 TRIAZOLE COMPOUNDS AS ANTIVIRALS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
EP-2870143-B1 TRIAZOLE COMPOUNDS AS ANTIVIRALS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
EP-2870143-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. Hoffmann-La Roche AG (CH) 2015-05-13 EP disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 US disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 US disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 US disclosed
WO-2014006066-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. HOFFMANN-LA ROCHE AG (CH) 2014-01-09 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 (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-20150307461-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS IDO1 571/4885ALDH1A1 222/4885LMNA 3929/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS IDO1 571/4885ALDH1A1 222/4885LMNA 3929/4885

“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.