SCHEMBL23601023

SCHEMBL23601023

CN(c1cccc(-c2ccc(C3CC3)nc2)c1)c1nc2nncn2c2cc(Cl)c(F)cc12

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.32
MAP3K5 Q99683 5/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
EED O75530 2/20 0.30
SUZ12 Q15022 2/20 0.30
EZH2 Q15910 2/20 0.30
MAT2A P31153 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
SCHEMBL23601336 0.90 TNF (0.33) ABCG2MAT2A
SCHEMBL23577377 0.88 FNTA (0.34) MAP3K5PTGS1PTGS2EEDSUZ12
SCHEMBL31229439 0.88 FNTA (0.34) MAP3K5PTGS1PTGS2EEDSUZ12
SCHEMBL23576626 0.87 MAP4K4 (0.36) ABCG2
SCHEMBL29909818 0.87 MAP4K4 (0.36) ABCG2
SCHEMBL23577460 0.85 NT5E (0.34) ABCG2PTGS1PTGS2
SCHEMBL23578530 0.85 ABCG2 (0.33) ABCG2MAP3K5
SCHEMBL23577201 0.85 ABCG2 (0.35) ABCG2
SCHEMBL29909700 0.85 ABCG2 (0.35) ABCG2
SCHEMBL23601243 0.85 ABCG2 (0.32) ABCG2

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 ABCG2 4216/4885MAP3K5 136/4885PTGS1 1792/4885

“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.