SCHEMBL29921978

SCHEMBL29921978

O=Cc1ccc2cnc3nncn3c2c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.41
▸ KCNJ1 P48048 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ FGFR1 P11362 1/20 0.32
▸ RAB9A P51151 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PTGS2 P35354 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
SCHEMBL30961068 0.76 KMO (0.36) CYP2A6KDM4E
SCHEMBL30979096 0.75 KDM4E (0.30) KDM4E
SCHEMBL23576972 0.68 CSNK2A1 (0.37) CYP2A6
SCHEMBL23576762 0.67 ALOX15 (0.36) CYP2A6KDM4ERAB9AALDH1A1NPSR1
SCHEMBL30920907 0.67 MAPT (0.36) KDM4E
SCHEMBL30067925 0.66 CYP2A6 (0.46) CYP2A6KDM4EFGFR1RAB9AALDH1A1
SCHEMBL2138250 0.66 CYP2A6 (0.54) CYP2A6ALDH1A1
SCHEMBL29570479 0.66 CYP2A6 (0.54) CYP2A6ALDH1A1
SCHEMBL23577290 0.66 CSNK2A1 (0.37) —
SCHEMBL2011301 0.63 CYP2A6 (0.44) CYP2A6KCNJ1KDM4ERAB9AALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12054490-B2 Diacylglycerol kinase modulating compounds GILEAD SCIENCES, INC. (US) 2024-08-06 — — US disclosed
CN-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 — — CN disclosed
US-20240182476-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2024-06-06 — — US disclosed
US-11845723-B2 Diacylglycerol kinase modulating compounds GILEAD SCIENCES, INC. (US) 2023-12-19 — — US disclosed
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 (4 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 CYP2A6 4305/4885KCNJ1 4086/4885KDM4E 1748/4885
US-12054490-B2 Diacylglycerol kinase modulating compounds DGKG, DGKB, DGKK CYP2A6 4305/4885KCNJ1 4086/4885KDM4E 1748/4885
US-11845723-B2 Diacylglycerol kinase modulating compounds DGKG, DGKB, DGKK CYP2A6 4305/4885KCNJ1 4086/4885KDM4E 1748/4885
US-20240182476-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK CYP2A6 4305/4885KCNJ1 4086/4885KDM4E 1748/4885

“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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