SCHEMBL23994792

SCHEMBL23994792

Clc1cc(C2CC2)c2nc(-c3ccncc3)cn2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
CYP17A1 P05093 4/20 0.34
DYRK1A Q13627 1/20 0.34
GCGR P47871 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
TTK P33981 1/20 0.32
PSD A5PKW4 1/20 0.32
KDR P35968 1/20 0.32
DRD2 P14416 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL23993911 0.88 SMN1; SMN2 (0.46) AKT1AKT2KDM4EMEN1NPC1
SCHEMBL23993450 0.85 CYP2A6 (0.41) AKT1AKT2CYP17A1PSDMAPT
SCHEMBL30224247 0.85 CYP2A6 (0.41) AKT1AKT2CYP17A1PSDMAPT
SCHEMBL23993195 0.79 CCR1 (0.41) AKT1AKT2KDM4ENPC1ALDH1A1
SCHEMBL30224834 0.79 CCR1 (0.41) AKT1AKT2KDM4ENPC1ALDH1A1
SCHEMBL23993194 0.79 RAB9A (0.38) DYRK1AKDM4EMEN1NPC1ALDH1A1
SCHEMBL23993969 0.78 PDE10A (0.40) AKT1AKT2CYP17A1PDE10A
SCHEMBL2579779 0.77 GSK3A (0.37) CYP17A1DYRK1AGCGRKDRPDE10A
SCHEMBL21980195 0.74 SMPD3 (0.37) AKT1AKT2CYP17A1KDM4EALDH1A1
SCHEMBL12637480 0.74 PDE10A (0.53) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
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 AKT1 1619/4885AKT2 1176/4885CYP17A1 4392/4885

“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.