SCHEMBL23995084

SCHEMBL23995084

O=c1[nH]cc(-c2cc(NCCc3cccc(C(F)(F)F)c3)c3nccn3n2)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ CDC7 O00311 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ HIPK2 Q9H2X6 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ CLK1 P49759 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ CCNC P24863 1/20 0.37

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
SCHEMBL30224471 1.00 MEN1 (0.44) MEN1MAPTKMT2AKDM4ETAAR1
SCHEMBL23995088 0.89 MAPT (0.46) MEN1MAPTKMT2AKDM4ETAAR1
SCHEMBL23994321 0.89 MEN1 (0.54) MEN1MAPTKMT2AKDM4ETAAR1
SCHEMBL23995086 0.87 KDM4E (0.46) MEN1MAPTKMT2AKDM4ETAAR1
SCHEMBL23994843 0.85 NT5E (0.35) MEN1MAPTKMT2AKDM4ETAAR1
SCHEMBL23995391 0.84 MAPT (0.43) MEN1MAPTKMT2AKDM4ETAAR1
SCHEMBL23995083 0.83 KDM4E (0.47) MEN1MAPTKMT2AKDM4ETAAR1
SCHEMBL23995372 0.83 MEN1 (0.43) MEN1MAPTKMT2AKDM4ETAAR1
SCHEMBL23993490 0.82 KDM4E (0.40) MEN1MAPTKMT2AKDM4ETAAR1
SCHEMBL23995212 0.81 GPR84 (0.40) MEN1MAPTKMT2AKDM4ETAAR1

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-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E MEN1 3132/4885MAPT 4826/4885KMT2A 2253/4885

“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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