SCHEMBL21756739

SCHEMBL21756739

COc1cccc(CNC(=O)c2nc[nH]n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.60
MAPT P10636 2/20 0.60
ALDH1A1 P00352 2/20 0.59
HTT P42858 1/20 0.59
HPGD P15428 3/20 0.56
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
PRKACA P17612 2/20 0.56
PRKX P51817 2/20 0.56
PRKCQ Q04759 2/20 0.56
ROCK1 Q13464 2/20 0.56
ROCK2 O75116 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56

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
SCHEMBL21756742 0.85 SMN1; SMN2 (0.52) MMP13SMN1; SMN2MAPTALDH1A1HTT
SCHEMBL29328528 0.85 MMP13 (0.60) MMP13ALDH1A1HTTHPGDKDM4E
SCHEMBL21756725 0.84 MAPK14 (0.58) MMP13ROCK1ROCK2
SCHEMBL21756738 0.84 HPGD (0.55) SMN1; SMN2MAPTALDH1A1HPGDLMNA
SCHEMBL10782201 0.81 ALDH1A1 (0.55) MMP13ALDH1A1HPGDKMT2A
SCHEMBL21756735 0.81 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1LMNAKMT2AAPEX1
SCHEMBL8057403 0.81 MMP13 (0.62) MMP13MAPTPRKACAPRKXPRKCQ
SCHEMBL29328536 0.79 ALDH1A1 (0.47) SMN1; SMN2MAPTALDH1A1LMNAKMT2A
SCHEMBL8358822 0.78 MMP13 (0.69) MMP13SMN1; SMN2ALDH1A1HTTHPGD
SCHEMBL8070937 0.78 MMP13 (0.57) MMP13SMN1; SMN2MAPTALDH1A1HTT

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 MMP13 1600/4885SMN1; SMN2 2714/4885MAPT 4808/4885
US-12043601-B2 N-substituted-1H-1,2,4-triazole-3-carboxamides, analogues thereof, and methods of treatment using same BAK1, NAAA, CASP3 MMP13 1600/4885SMN1; SMN2 2714/4885MAPT 4808/4885

“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.