SCHEMBL22800992

SCHEMBL22800992

Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.62
MDM2 Q00987 1/20 0.62
ALDH1A1 P00352 4/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPK1 P28482 4/20 0.55
POLB P06746 2/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 2/20 0.55
BRAF P15056 1/20 0.55
GAA P10253 2/20 0.54
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 2/20 0.54
USP2 O75604 1/20 0.53
CXCL8 P10145 2/20 0.53
NOD2 Q9HC29 2/20 0.53
NOD1 Q9Y239 2/20 0.53
TNF P01375 1/20 0.53
G6PD P11413 1/20 0.53

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
SCHEMBL4667126 0.87 RECQL (0.76) RECQLMDM2ALDH1A1MEN1KMT2A
SCHEMBL27411452 0.81 ALDH1A1 (0.67) RECQLMDM2ALDH1A1MEN1KMT2A
SCHEMBL16028621 0.81 ATM (0.71) RECQLMDM2ALDH1A1MEN1KMT2A
SCHEMBL22800983 0.81 ALDH1A1 (0.66) RECQLMDM2ALDH1A1MEN1KMT2A
SCHEMBL17845827 0.81 RECQL (0.67) RECQLMDM2ALDH1A1MEN1KMT2A
SCHEMBL16076188 0.80 BRDT (0.71) RECQLMDM2ALDH1A1MEN1KMT2A
SCHEMBL22800910 0.80 ALDH1A1 (0.74) RECQLMDM2ALDH1A1MEN1KMT2A
SCHEMBL22800918 0.78 HPGD (0.81) RECQLMDM2ALDH1A1MEN1KMT2A
SCHEMBL4668605 0.78 ALDH1A1 (0.79) RECQLMDM2ALDH1A1MEN1KMT2A
SCHEMBL4668659 0.77 ALDH1A1 (0.77) RECQLMDM2ALDH1A1MEN1KMT2A

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-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents SOUTHERN RESEARCH INSTITUTE (US) 2023-02-14 US disclosed
US-20200399271-A1 XANTHINE ANALOGS AS POTENT ANTI-WEST NILE VIRAL AGENTS OREGON HEALTH AND SCIENCE UNIVERSITY 2020-12-24 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 (2 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-20200399271-A1 XANTHINE ANALOGS AS POTENT ANTI-WEST NILE VIRAL AGENTS XDH, PNP, MAVS RECQL 1436/4885MDM2 4616/4885ALDH1A1 1158/4885
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents XDH, PNP, MAVS RECQL 1436/4885MDM2 4616/4885ALDH1A1 1158/4885

“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.