SCHEMBL23601437

SCHEMBL23601437

COc1nnc2nc(N(C)c3cccc(-c4ccc(C5CC5)cc4)c3)c3ccc(Cl)cc3n12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
MAT2A P31153 1/20 0.33
EGFR P00533 3/20 0.32
CSF1R P07333 2/20 0.32
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
PTK2 Q05397 1/20 0.31
NR1H4 Q96RI1 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
SCHEMBL23601320 0.90 MAT2A (0.35) HSD17B1HSD17B2MAT2A
SCHEMBL23601523 0.89 MAT2A (0.34) HSD17B1HSD17B2MAT2A
SCHEMBL23601049 0.88 MAT2A (0.34) HSD17B1HSD17B2MAT2A
SCHEMBL31169405 0.88 MAT2A (0.34) HSD17B1HSD17B2MAT2A
SCHEMBL23601518 0.86 MAT2A (0.33) HSD17B1HSD17B2MAT2A
SCHEMBL23577071 0.86 MAT2A (0.32) HSD17B1HSD17B2MAT2A
SCHEMBL29909318 0.86 MAT2A (0.32) HSD17B1HSD17B2MAT2A
SCHEMBL23577347 0.86 MAT2A (0.32) HSD17B1HSD17B2MAT2A
SCHEMBL29909511 0.85 HSD17B1 (0.34) HSD17B1HSD17B2
SCHEMBL23578328 0.82 MAT2A (0.35) HSD17B1HSD17B2MAT2A

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 HSD17B1 2939/4885HSD17B2 3114/4885MAT2A 1551/4885

“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.