SCHEMBL24721381

SCHEMBL24721381

CSc1cccc(-c2cnc(N)nc2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 4/20 0.59
▸ IDO1 P14902 1/20 0.49
▸ SYK P43405 1/20 0.43
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ BACE1 P56817 2/20 0.39
▸ DHFR P00374 2/20 0.38
▸ LRRK2 Q5S007 1/20 0.37
▸ ABCG2 Q9UNQ0 4/20 0.37
▸ ABCC1 P33527 2/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ TGFBR1 P36897 1/20 0.36
▸ ALOX5AP P20292 2/20 0.36
▸ FEN1 P39748 1/20 0.36

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
SCHEMBL24721275 0.78 IDO1 (0.45) MAP4K4IDO1SYKTGFBR1
SCHEMBL24721532 0.77 IDO1 (0.47) MAP4K4IDO1SYKADORA2AADORA1
SCHEMBL3804537 0.77 MAOA (0.56) MAP4K4IDO1
SCHEMBL3786065 0.76 TAAR1 (0.52) IDO1BACE1
SCHEMBL13040 0.76 MAP4K4 (0.66) MAP4K4IDO1ADORA1
SCHEMBL11613189 0.75 RAB9A (0.61) IDO1ADORA2AADORA1BACE1ABCG2
SCHEMBL2643156 0.75 MAP4K4 (1.00) MAP4K4
SCHEMBL3480820 0.74 IDO1 (0.50) IDO1SYKABCG2ABCC1ABCB1
SCHEMBL30849630 0.74 IDO1 (0.50) IDO1SYKABCG2ABCC1ABCB1
SCHEMBL13606218 0.73 AOC3 (0.50) IDO1BACE1DHFRLRRK2

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-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 — — 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-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK MAP4K4 236/4885IDO1 3054/4885SYK 1945/4885

“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.

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