SCHEMBL20814397

SCHEMBL20814397

CC(C)(O)CNc1nc(Cl)nc(Nc2ccnc(C(F)(F)F)c2)n1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 15/20 0.74
IDH1 O75874 10/20 0.71
ABCB11 O95342 1/20 0.71
ADORA3 P0DMS8 1/20 0.71
CHRM1 P11229 1/20 0.71
TBXA2R P21731 1/20 0.71
PTGS1 P23219 1/20 0.71
ADORA1 P30542 1/20 0.71
ADRA1A P35348 1/20 0.71
OPRM1 P35372 1/20 0.71
KDR P35968 1/20 0.71
KCNH2 Q12809 1/20 0.71

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
SCHEMBL29763409 0.86 IDH2 (0.79) IDH2IDH1ABCB11ADORA3CHRM1
SCHEMBL15094193 0.86 IDH2 (0.79) IDH2IDH1ABCB11ADORA3CHRM1
SCHEMBL15102211 0.85 IDH1 (0.84) IDH2IDH1ABCB11ADORA3CHRM1
SCHEMBL28897972 0.85 IDH2 (1.00) IDH2IDH1ABCB11ADORA3CHRM1
SCHEMBL18214303 0.84 IDH2 (0.65) IDH2IDH1ABCB11ADORA3CHRM1
SCHEMBL21958254 0.83 IDH2 (0.75) IDH2IDH1ABCB11ADORA3CHRM1
Enasidenib SCHEMBL29360046 0.83 IDH2 (1.00) IDH2IDH1ABCB11ADORA3CHRM1
Enasidenib SCHEMBL15102202 0.83 IDH2 (1.00) IDH2IDH1ABCB11ADORA3CHRM1
SCHEMBL30524664 0.83 IDH1 (0.50) IDH2IDH1ABCB11ADORA3CHRM1
SCHEMBL16370029 0.83 IDH1 (0.50) IDH2IDH1ABCB11ADORA3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210363115-A2 CYCLOOLEFIN SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LIMITED (CN) 2021-11-25 US disclosed
US-20210163426-A1 CYCLOOLEFIN SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LIMITED (CN) 2021-06-03 US disclosed
WO-2019047909-A1 CYCLOOLEFIN SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LIMITED (CN) 2019-03-14 WO 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 (2 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-20210363115-A2 CYCLOOLEFIN SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE CYP4F11, CYP11B1, CYP11B2 IDH2 1181/4885IDH1 605/4885ABCB11 73/4885
US-20210163426-A1 CYCLOOLEFIN SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE CYP4F11, CYP11B1, CYP11B2 IDH2 1937/4885IDH1 980/4885ABCB11 230/4885

“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.