SCHEMBL216157

SCHEMBL216157

O=C(O)Nc1ccc2nncn2c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 11/20 0.57
MAOB P27338 1/20 0.53
DNMT1 P26358 1/20 0.43
NAMPT P43490 1/20 0.42
MLLT3 P42568 3/20 0.42
NLRP3 Q96P20 4/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
YEATS2 Q9ULM3 1/20 0.40

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
SCHEMBL24011032 0.85 MLLT1 (0.56) MLLT1MAOBMLLT3NLRP3KDM4E
SCHEMBL22123559 0.77 MLLT1 (0.49) MLLT1MAOBNAMPTMLLT3NLRP3
SCHEMBL22124957 0.77 MLLT1 (0.45) MLLT1MAOBKDM4EPOLBMAPT
SCHEMBL23432690 0.76 MLLT1 (0.49) MLLT1MAOBDNMT1NAMPTMLLT3
SCHEMBL22566647 0.75 MLLT1 (0.47) MLLT1MAOBMLLT3NLRP3YEATS2
SCHEMBL38660996 0.74 MAOB (0.46) MLLT1MAOBMLLT3NLRP3POLB
SCHEMBL22750927 0.73 MLLT1 (0.76) MLLT1MAOBKDM4EMAPT
SCHEMBL25309225 0.71 MAOB (0.46) MLLT1MAOBPOLBMAPT
SCHEMBL24783499 0.70 MLLT1 (0.45) MLLT1MAOBDNMT1MLLT3NLRP3
SCHEMBL25124502 0.70 MLLT1 (0.46) MLLT1MAOBDNMT1MLLT3NLRP3

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-3898633-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-10-27 EP disclosed
WO-2020127504-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed
US-20120065227-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-03-15 US disclosed
US-8088792-B2 Triazolopyridinone derivatives for use as stearoyl CoA desaturase inhibitors GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20090253738-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2009-10-08 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 (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-20120065227-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FASN MLLT1 1606/4885MAOB 2706/4885DNMT1 2474/4885
US-20090253738-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FASN MLLT1 1606/4885MAOB 2706/4885DNMT1 2474/4885

“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.