SCHEMBL22800982

SCHEMBL22800982

Cc1ccc(C)c(CN2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccc(F)cc3)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ TSHR P16473 1/20 0.64
▸ POLB P06746 4/20 0.62
▸ SIRT5 Q9NXA8 1/20 0.62
▸ USP2 O75604 2/20 0.60
▸ GAA P10253 1/20 0.56
▸ GLA P06280 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ HTT P42858 3/20 0.55
▸ DPP4 P27487 1/20 0.54
▸ TP53 P04637 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ HPGD P15428 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
SCHEMBL22800988 0.91 USP2 (0.67) ALDH1A1MAPK1TSHRPOLBSIRT5
SCHEMBL22800949 0.90 ALDH1A1 (0.57) ALDH1A1MAPK1TSHRPOLBSIRT5
SCHEMBL22801000 0.88 USP2 (0.65) ALDH1A1MAPK1TSHRPOLBSIRT5
SCHEMBL22800996 0.87 HTT (0.67) ALDH1A1MAPK1TSHRPOLBUSP2
SCHEMBL22800978 0.86 USP2 (0.62) ALDH1A1MAPK1TSHRPOLBSIRT5
SCHEMBL22800958 0.83 USP2 (0.57) ALDH1A1MAPK1TSHRPOLBSIRT5
SCHEMBL22800907 0.83 ALDH1A1 (0.57) ALDH1A1MAPK1TSHRPOLBSIRT5
SCHEMBL22801006 0.82 USP2 (0.57) ALDH1A1MAPK1TSHRPOLBSIRT5
SCHEMBL22800961 0.81 ALDH1A1 (0.66) ALDH1A1MAPK1TSHRPOLBUSP2
SCHEMBL22800985 0.81 HTT (0.63) ALDH1A1MAPK1TSHRPOLBSIRT5

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 ALDH1A1 1158/4885MAPK1 2053/4885TSHR 3384/4885
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents XDH, PNP, MAVS ALDH1A1 1158/4885MAPK1 2053/4885TSHR 3384/4885

“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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