SCHEMBL25835836

SCHEMBL25835836

Cc1ccc(-n2cnnc2C2CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.40
BRD4 O60885 2/20 0.39
AVPR1A P37288 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
GRM1 Q13255 1/20 0.34
LGALS3 P17931 1/20 0.34
DCTPP1 Q9H773 1/20 0.34
NOTUM Q6P988 2/20 0.33
HCAR1 Q9BXC0 1/20 0.33
CYP11B2 P19099 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL21082452 0.83 LGALS3 (0.35) POLBMCHR1LGALS3NOTUMHCAR1
SCHEMBL21082562 0.82 HTT (0.39) EP300NPC1RAB9AALOX15L3MBTL1
SCHEMBL16845861 0.73 KCNH2 (0.44) KMT2ALGALS3
SCHEMBL11089581 0.72 SIGMAR1 (0.44) KMT2A
Hydrochloric Acid SCHEMBL16827934 0.72 KCNH2 (0.43) KMT2ALGALS3
SCHEMBL10704627 0.71 EP300 (0.37) EP300BRD4KMT2ANOTUMHCAR1
SCHEMBL12596284 0.67
SCHEMBL9911410 0.64 GABRG2 (0.37) LGALS3
SCHEMBL25100064 0.63 TNK2 (0.41) AVPR1ANPC1RAB9ADRD1DRD5
SCHEMBL20333678 0.61 MAPK9 (0.40) BRD4NOTUMHCAR1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2023-06-29 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-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES AVPR1A, AVPR1B, AVPR2 EP300 1862/4885BRD4 1803/4885AVPR1A 1/4885

“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.