SCHEMBL26499330

SCHEMBL26499330

CCn1ncn(-c2ccc(N)cc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.39
ROCK2 O75116 2/20 0.39
PPARD Q03181 9/20 0.38
PPARA Q07869 9/20 0.38
PPARG P37231 6/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GFER P55789 2/20 0.38
RAD52 P43351 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
ADORA2B P29275 1/20 0.36

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
SCHEMBL25160199 0.85 PPARD (0.48) HSD17B3ROCK2PPARDPPARAPPARG
SCHEMBL25160757 0.84 PPARG (0.50) HSD17B3ROCK2PPARDPPARAPPARG
SCHEMBL22349797 0.83 PPARD (0.48) HSD17B3ROCK2PPARDPPARAPPARG
SCHEMBL16196902 0.83 PPARD (0.48) HSD17B3ROCK2PPARDPPARAPPARG
SCHEMBL20644446 0.83 PPARD (0.51) HSD17B3ROCK2PPARDPPARAPPARG
SCHEMBL22349793 0.83 PPARD (0.48) HSD17B3ROCK2PPARDPPARAPPARG
SCHEMBL22349850 0.83 ALDH1A1 (0.47) ROCK2PPARDPPARAPPARGSMN1; SMN2
SCHEMBL9665897 0.76 MAPT (0.65) HSD17B3MAPTKDM4EGAASMN1; SMN2
SCHEMBL20639871 0.76 MAPT (0.49) HSD17B3PPARDPPARAPPARGMAPT
SCHEMBL22349788 0.74 ELANE (0.48) ROCK2MAPTGAAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321082-A1 USE OF TRIAZOLE ANALOGUES FOR INHIBITION OF A TRIPARTITE VOR PROTEIN COMPLEX IN MULTICELLULAR ORGANISMS BOE TECHNOLOGY GROUP CO., LTD. (CN) 2023-10-12 US disclosed
US-20230321082-A1 USE OF TRIAZOLE ANALOGUES FOR INHIBITION OF A TRIPARTITE VOR PROTEIN COMPLEX IN MULTICELLULAR ORGANISMS BOE TECHNOLOGY GROUP CO., LTD. (CN) 2023-10-12 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 (1 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-20230321082-A1 USE OF TRIAZOLE ANALOGUES FOR INHIBITION OF A TRIPARTITE VOR PROTEIN COMPLEX IN MULTICELLULAR ORGANISMS RABL3, VAPA, VAPB HSD17B3 3037/4885ROCK2 2976/4885PPARD 1920/4885

“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.