SCHEMBL22957641

SCHEMBL22957641

CNCc1cccc(OCC2CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
NOS1 P29475 2/20 0.46
NOS3 P29474 1/20 0.46
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
ALDH1A1 P00352 1/20 0.46
DUT P33316 4/20 0.45
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL25818867 0.93 HTR2C (0.50) KDM5AKDM4CPRMT6ALDH1A1TLR4
SCHEMBL1409587 0.85 CHRM2 (0.60) KDM5AKDM4CNOS1CARM1PRMT6
SCHEMBL22957771 0.85 KDM5A (0.49) KDM5AKDM4CALDH1A1DUTTLR4
SCHEMBL11942141 0.82 ALDH1A1 (0.51) KDM5AKDM4CALDH1A1TLR4TLR2
SCHEMBL22957824 0.80 KDM5A (0.46) KDM5AKDM4CALDH1A1DUTTLR4
SCHEMBL28168876 0.80 KDM5A (0.58) KDM5AKDM4CACACBACACANR1H4
SCHEMBL8274392 0.79 CNR1 (0.45) KDM5AKDM4CDUTTLR4TLR2
SCHEMBL1034790 0.79 SLC2A1 (0.59)
SCHEMBL16902898 0.79 KDM5A (0.48) KDM5AKDM4CTLR4TLR2NR1H4
SCHEMBL6851212 0.79 TLR4 (0.47) KDM5AKDM4CALDH1A1TLR4TLR2

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
EP-3580220-B1 AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-11-17 EP disclosed
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-09 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-10913738-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 KDM5A 1183/4885KDM4C 2307/4885NOS1 1873/4885

“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.