SCHEMBL30961037

SCHEMBL30961037

CNc1nc2nncn2c2ccc(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAT2A P31153 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TOP2A P11388 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ LMNA P02545 1/20 0.34

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
SCHEMBL31229473 0.85 SMN1; SMN2 (0.43) SMN1; SMN2MAPTMEN1POLBKMT2A
SCHEMBL30920847 0.82 KDM4E (0.39) SMN1; SMN2MAPTTOP2AMEN1POLB
SCHEMBL29909120 0.79 TOP2A (0.54) SMN1; SMN2MAPTTOP2AMEN1POLB
SCHEMBL30978986 0.79 TOP2A (0.39) SMN1; SMN2MAPTTOP2AMEN1KMT2A
SCHEMBL30979136 0.78 KDM4E (0.36) SMN1; SMN2MAPTTOP2AKDM4ETP53
SCHEMBL30961058 0.78 KDM4E (0.36) SMN1; SMN2MAT2AMAPTTOP2AMEN1
SCHEMBL30048544 0.78 MAPT (0.39) SMN1; SMN2MAPTKDM4E
SCHEMBL23601428 0.74 MAT2A (0.48) SMN1; SMN2MAT2AMAPT
SCHEMBL30978994 0.74 TOP2A (0.40) SMN1; SMN2MAT2AMAPTTOP2AKDM4E
SCHEMBL30979084 0.74 TOP2A (0.43) MAT2AMAPTTOP2AKMT2AKDM4E

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-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

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-12054490-B2 Diacylglycerol kinase modulating compounds DGKG, DGKB, DGKK SMN1; SMN2 4737/4885MAT2A 1551/4885MAPT 4206/4885

“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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