SCHEMBL21756725

SCHEMBL21756725

O=C(NCc1cccc(OC(F)(F)F)c1)c1nc[nH]n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.58
ROCK2 O75116 5/20 0.58
ROCK1 Q13464 4/20 0.58
MMP13 P45452 1/20 0.51
GLS O94925 3/20 0.50
CHRM3 P20309 1/20 0.50
KDM5A P29375 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
ABCB1 P08183 1/20 0.48
KCNB1 Q14721 1/20 0.48
NAMPT P43490 1/20 0.48
HTR2C P28335 1/20 0.47
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
AKR1C3 P42330 1/20 0.46
ENPP2 Q13822 1/20 0.46

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
SCHEMBL21756722 0.85 EPHX2 (0.55) NAMPTHTR2CPPARGPPARDPPARA
SCHEMBL21756739 0.84 MMP13 (0.62) ROCK2ROCK1MMP13
SCHEMBL21756728 0.80 ALDH1A1 (0.55) NAMPT
SCHEMBL14256086 0.80 MAPK14 (0.62) MAPK14ROCK2ROCK1MMP13GLS
SCHEMBL31013607 0.80 ALDH1A1 (0.55) NAMPT
SCHEMBL29328528 0.79 MMP13 (0.60) ROCK2MMP13CHRM3PPARG
SCHEMBL13647056 0.79 MAPK14 (0.63) MAPK14ROCK2ROCK1MMP13GLS
SCHEMBL10782201 0.78 ALDH1A1 (0.55) MMP13
SCHEMBL27913707 0.77 ROCK2 (0.87) MAPK14ROCK2ROCK1MMP13KDM5A
SCHEMBL19558998 0.77 MAPK14 (0.58) MAPK14ROCK2ROCK1MMP13GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043601-B2 N-substituted-1H-1,2,4-triazole-3-carboxamides, analogues thereof, and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2024-07-23 US disclosed
US-12043601-B2 N-substituted-1H-1,2,4-triazole-3-carboxamides, analogues thereof, and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2024-07-23 US disclosed
US-12043601-B2 N-substituted-1H-1,2,4-triazole-3-carboxamides, analogues thereof, and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2024-07-23 US disclosed
US-20210309618-A1 N-SUBSTITUTED-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDES, ANALOGUES THEREOF, AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2021-10-07 US disclosed
US-20210309618-A1 N-SUBSTITUTED-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDES, ANALOGUES THEREOF, AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2021-10-07 US disclosed
WO-2020041556-A1 N-SUBSTITUTED-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDES, ANALOGUES THEREOF, AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-02-27 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-20210309618-A1 N-SUBSTITUTED-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDES, ANALOGUES THEREOF, AND METHODS OF TREATMENT USING SAME BAK1, NAAA, CASP3 MAPK14 2008/4885ROCK2 1623/4885ROCK1 1436/4885
US-12043601-B2 N-substituted-1H-1,2,4-triazole-3-carboxamides, analogues thereof, and methods of treatment using same BAK1, NAAA, CASP3 MAPK14 2008/4885ROCK2 1623/4885ROCK1 1436/4885

“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.