SCHEMBL21756736

SCHEMBL21756736

COc1cccc(CNC(=O)c2nc[nH]n2)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.58
ROCK1 Q13464 1/20 0.58
MAOB P27338 1/20 0.52
NPSR1 Q6W5P4 1/20 0.49
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
NAMPT P43490 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
QPCT Q16769 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL31013604 1.00 ROCK2 (0.58) ROCK2ROCK1MAOBNPSR1TP53
SCHEMBL29328533 0.88 ROCK2 (0.44) ROCK2ROCK1MAOBNPSR1TP53
SCHEMBL7495080 0.77 ROCK2 (0.59) ROCK2ROCK1MAOBNPSR1TP53
SCHEMBL2936345 0.77 KMT2A (0.60) ROCK2ROCK1NPSR1TP53HPGD
SCHEMBL14284683 0.77 ROCK2 (0.60) ROCK2ROCK1MAOBNPSR1TP53
SCHEMBL21756735 0.76 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2HSD17B10L3MBTL1
SCHEMBL14284376 0.76 ROCK2 (0.58) ROCK2ROCK1MAOBTP53MAPT
SCHEMBL6289035 0.76 HPGD (0.58) ROCK2ROCK1NPSR1TP53HPGD
SCHEMBL6289034 0.76 HPGD (0.58) ROCK2ROCK1NPSR1TP53HPGD
SCHEMBL21756739 0.75 MMP13 (0.62) ROCK2ROCK1MAPTHPGDKDM4E

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 ROCK2 1623/4885ROCK1 1436/4885MAOB 2629/4885
US-12043601-B2 N-substituted-1H-1,2,4-triazole-3-carboxamides, analogues thereof, and methods of treatment using same BAK1, NAAA, CASP3 ROCK2 1623/4885ROCK1 1436/4885MAOB 2629/4885

“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.