SCHEMBL23601666

SCHEMBL23601666

CN(c1cccc(-c2ccc(C(F)(F)F)cc2)c1)c1nc2nncn2c2cc(F)c(F)cc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.35
SCN9A Q15858 2/20 0.33
DHODH Q02127 1/20 0.33
KIF11 P52732 2/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
EGFR P00533 2/20 0.32
CSF1R P07333 2/20 0.32
TACR1 P25103 2/20 0.32
GRIN2B Q13224 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL23601029 0.93 FNTA (0.34) ABCG2SCN9ADHODHKIF11FNTA
SCHEMBL23601306 0.93 SCN9A (0.33) ABCG2SCN9ADHODHKIF11FNTA
SCHEMBL29909506 0.92 ABCG2 (0.35) ABCG2DHODHFNTAFNTB
SCHEMBL23577238 0.92 ABCG2 (0.35) ABCG2DHODHFNTAFNTB
SCHEMBL23577146 0.90 SCN9A (0.38) ABCG2SCN9ADHODHEGFRCSF1R
SCHEMBL29909622 0.88 TACR1 (0.40) ABCG2SCN9ADHODHKIF11FNTA
SCHEMBL23577126 0.88 TACR1 (0.40) ABCG2SCN9ADHODHKIF11FNTA
SCHEMBL23576892 0.88 SCN5A (0.35) ABCG2DHODH
SCHEMBL23601905 0.87 FNTA (0.40) ABCG2SCN9AKIF11FNTAFNTB
SCHEMBL23577166 0.85 FNTA (0.34) ABCG2DHODHFNTAFNTB

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 4216/4885SCN9A 4747/4885DHODH 1705/4885

“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.