SCHEMBL23601064

SCHEMBL23601064

CN(c1cncc(-c2ccc(OCC(F)(F)F)nc2)n1)c1nc2nncn2c2cc(Cl)c(F)cc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
PTGES O14684 4/20 0.33
SCN9A Q15858 2/20 0.33
HRH4 Q9H3N8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
PIM1 P11309 1/20 0.30
PIM3 Q86V86 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
SCHEMBL23577237 0.84 ALDH1A1 (0.34) CYP1A2PTGESSCN9AHRH4ALDH1A1
SCHEMBL23601043 0.83 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL31169448 0.83 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL29909012 0.81 PTGDR2 (0.39) CYP1A2PTGESSCN9AALDH1A1RECQL
SCHEMBL23576707 0.80 CYP11B1 (0.30) CYP11B1CYP11B2
SCHEMBL23577253 0.78 ALPL (0.38)
SCHEMBL23577595 0.75 FYN (0.33)
SCHEMBL23577736 0.73 SCN9A (0.35) CYP1A2SCN9AALDH1A1RECQL
SCHEMBL23601044 0.72 ADORA2A (0.33)
SCHEMBL23577460 0.71 NT5E (0.34)

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
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 US disclosed
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 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 (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-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK CYP1A2 4595/4885PTGES 1780/4885SCN9A 4747/4885

“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.