SCHEMBL15544748

SCHEMBL15544748

C#Cc1ccc(NC(=NC#N)SC)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
AR P10275 3/20 0.33
SLC22A12 Q96S37 2/20 0.33
DHODH Q02127 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.31
ROCK2 O75116 1/20 0.31
RORC P51449 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
SCHEMBL15544746 1.00 IDO1 (0.40) IDO1ALDH1A1LMNAGAARECQL
SCHEMBL15544702 0.89 IDO1 (0.51) IDO1ALDH1A1LMNAGAAAR
SCHEMBL15544706 0.89 IDO1 (0.51) IDO1ALDH1A1LMNAGAAAR
SCHEMBL18856836 0.85 SMN1; SMN2 (0.32) ALDH1A1BLM
SCHEMBL15555645 0.83 IDO1 (0.37) IDO1ALDH1A1LMNAGAARECQL
SCHEMBL15555643 0.83 IDO1 (0.37) IDO1ALDH1A1LMNAGAARECQL
SCHEMBL15544496 0.82 ALDH1A1 (0.49) ALDH1A1LMNAGAARECQLKMT2A
SCHEMBL15544492 0.82 ALDH1A1 (0.49) ALDH1A1LMNAGAARECQLKMT2A
SCHEMBL15545116 0.82 IDO1 (0.36) IDO1ALDH1A1LMNAGAAKMT2A
SCHEMBL15545119 0.82 IDO1 (0.36) IDO1ALDH1A1LMNAGAAKMT2A

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 5 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
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
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.