SCHEMBL22800958

SCHEMBL22800958

Cc1ccc(C)c(CN2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccccc3C(F)(F)F)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 3/20 0.57
▸ MAPT P10636 3/20 0.56
▸ TP53 P04637 3/20 0.56
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ ALDH1A1 P00352 9/20 0.55
▸ HTT P42858 5/20 0.55
▸ LMNA P02545 2/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ GAA P10253 3/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ TSHR P16473 4/20 0.54
▸ HPGD P15428 2/20 0.54
▸ POLB P06746 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ GLA P06280 1/20 0.53
▸ MAPK1 P28482 2/20 0.52
▸ SIRT5 Q9NXA8 1/20 0.50

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
SCHEMBL22800996 0.89 HTT (0.67) USP2MAPTTP53MEN1KMT2A
SCHEMBL22801006 0.85 USP2 (0.57) USP2MAPTTP53MEN1KMT2A
SCHEMBL22801000 0.85 USP2 (0.65) USP2MAPTTP53MEN1KMT2A
SCHEMBL22800949 0.84 ALDH1A1 (0.57) USP2MAPTTP53MEN1KMT2A
SCHEMBL22800982 0.83 ALDH1A1 (0.64) USP2MAPTTP53MEN1KMT2A
SCHEMBL22800985 0.83 HTT (0.63) USP2MAPTTP53MEN1KMT2A
SCHEMBL22800988 0.83 USP2 (0.67) USP2MAPTTP53MEN1KMT2A
SCHEMBL22800931 0.83 ALDH1A1 (0.60) USP2MAPTTP53MEN1KMT2A
SCHEMBL22800978 0.81 USP2 (0.62) USP2MAPTTP53MEN1KMT2A
SCHEMBL22800907 0.80 ALDH1A1 (0.57) USP2MAPTTP53MEN1KMT2A

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 4 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-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
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 USP2 3429/4885MAPT 872/4885TP53 4684/4885
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents XDH, PNP, MAVS USP2 3429/4885MAPT 872/4885TP53 4684/4885

“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.

Send feedback