SCHEMBL25836116

SCHEMBL25836116

Cc1ccc(-n2cnnc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
NOTUM Q6P988 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC9A3 P48764 1/20 0.39
EP300 Q09472 1/20 0.39
HCAR1 Q9BXC0 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
CTRC Q99895 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
BRD4 O60885 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 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
SCHEMBL11380491 0.83 MAPT (0.41) KMT2AKDM4ESLC9A3MEN1ALDH1A1
SCHEMBL10166461 0.83 OPRD1 (0.42) KMT2AKDM4EL3MBTL1SLC9A3EP300
SCHEMBL6756652 0.70 MAPT (0.49) KMT2AKDM4EALOX15TSHRMEN1
SCHEMBL20333678 0.69 MAPK9 (0.40) NOTUMKDM4EHCAR1NPSR1BRD4
SCHEMBL6518759 0.67 CYP2C9 (0.58) F2KMT2ACYP1A2NOTUMKDM4E
SCHEMBL18098652 0.67 KDM4E (0.56) F2NOTUMKDM4EALOX15TSHR
SCHEMBL20733473 0.67 MAPT (0.36) F2KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9288141 0.65 TUBB4A (0.47) F2KMT2ANOTUMKDM4EALOX15
SCHEMBL9288138 0.65 ALDH1A1 (0.53) F2KMT2ACYP1A2KDM4EALOX15
SCHEMBL8268417 0.65 ALDH1A1 (0.65) CYP1A2NOTUMALDH1A1TUBB4ATUBB

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 F2 60/4885KMT2A 2005/4885CYP1A2 1099/4885

“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.