SCHEMBL24721532

SCHEMBL24721532

CSc1cccc(-c2ccc(C)nc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.47
▸ HPGDS O60760 1/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PI4KA P42356 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ SYK P43405 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ HSD17B1 P14061 2/20 0.38
▸ HSD17B2 P37059 2/20 0.38
▸ PORCN Q9H237 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL13231660 0.81 PIK3CD (0.47) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL6120463 0.79 PTGS2 (0.56) IDO1
SCHEMBL2757248 0.78 MAP4K4 (0.46) IDO1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL24721381 0.77 MAP4K4 (0.59) IDO1SYKTGFBR1MAP4K4ADORA2A
SCHEMBL10165304 0.77 TAAR1 (0.50) IDO1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL12947919 0.76 IDO1 (0.46) IDO1SYKTGFBR1HSD17B1HSD17B2
SCHEMBL4582712 0.75 PIK3CD (0.43) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL21228152 0.75 HSD17B2 (0.66) HSD17B1HSD17B2
SCHEMBL13624520 0.75 CYP2A6 (0.56) MAP4K4
SCHEMBL422044 0.75 SMN1; SMN2 (0.55) IDO1MAP4K4NPC1RAB9A

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 IDO1 3054/4885HPGDS 444/4885PIK3CD 60/4885

“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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