SCHEMBL22623967

SCHEMBL22623967

CCCC(C)(C)C1CCC(F)(F)C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.31
CHRM1 P11229 4/20 0.31
CHRM3 P20309 4/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL19156089 0.88 KDM4E (0.32) KDM4E
SCHEMBL22623987 0.84 KDM4E (0.41) CHRM2CHRM1CHRM3KDM4E
SCHEMBL18716239 0.84 APLNR (0.31)
SCHEMBL26327723 0.78 ALDH1A1 (0.32) KDM4E
SCHEMBL22541975 0.78
SCHEMBL25859530 0.76
SCHEMBL20402853 0.76 CHRM2 (0.32) CHRM2CHRM1CHRM3KDM4E
SCHEMBL23765253 0.74 ALDH1A1 (0.33) CHRM2CHRM1CHRM3
SCHEMBL11932071 0.74 ALDH1A1 (0.33) CHRM2CHRM1CHRM3
SCHEMBL23765298 0.74 ALDH1A1 (0.33) CHRM2CHRM1CHRM3

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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 CHRM2 3905/4885CHRM1 3837/4885CHRM3 4421/4885

“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.