SCHEMBL26295458

SCHEMBL26295458

Nc1c(C(=O)NCCO)cc(Cl)nc1-c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.46
▸ TP53 P04637 2/20 0.45
▸ NAMPT P43490 4/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ APBA1 Q02410 1/20 0.41
▸ EGLN1 Q9GZT9 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ PTAFR P25105 1/20 0.41

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
SCHEMBL26295479 0.84 P2RX7 (0.41) P2RX7TP53NAMPTKMT2AKDM4E
SCHEMBL26295471 0.84 ACVR1B (0.46) P2RX7TP53KMT2AKDM4EMEN1
SCHEMBL26295453 0.84 ACVR1B (0.46) P2RX7TP53KMT2AKDM4EMEN1
SCHEMBL23950565 0.82 ALDH1A1 (0.47) HTTKDM4E
SCHEMBL30101935 0.82 ALDH1A1 (0.47) HTTKDM4E
SCHEMBL25403249 0.81 AHR (0.44) P2RX7TP53KMT2AKDM4EMEN1
SCHEMBL23950751 0.81 MKNK1 (0.56) KMT2A
SCHEMBL23390484 0.79 MAPK1 (0.52) TP53KMT2AKDM4EMEN1
SCHEMBL30101922 0.79 MAPK1 (0.52) TP53KMT2AKDM4EMEN1
SCHEMBL26295468 0.79 MKNK1 (0.41) TP53KMT2AHTTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2023-09-21 — — 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 (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-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS AHR, ARNT, AIPL1 P2RX7 174/4885TP53 311/4885NAMPT 1086/4885

“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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