SCHEMBL22800978

SCHEMBL22800978

Cc1ccc(C)c(CN2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3cccnc3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 3/20 0.62
▸ POLB P06746 3/20 0.59
▸ ALDH1A1 P00352 7/20 0.56
▸ TSHR P16473 3/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ GLA P06280 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ HPGD P15428 1/20 0.55
▸ SIRT5 Q9NXA8 1/20 0.55
▸ HTT P42858 4/20 0.55
▸ DPP4 P27487 1/20 0.54
▸ NPSR1 Q6W5P4 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ TP53 P04637 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ ALOX15 P16050 1/20 0.51

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 0.87 USP2 (0.67) USP2POLBALDH1A1TSHRMAPK1
SCHEMBL22801000 0.86 USP2 (0.65) USP2POLBALDH1A1TSHRMAPK1
SCHEMBL22800982 0.86 ALDH1A1 (0.64) USP2POLBALDH1A1TSHRMAPK1
SCHEMBL22800996 0.83 HTT (0.67) USP2POLBALDH1A1TSHRMAPK1
SCHEMBL22800958 0.81 USP2 (0.57) USP2POLBALDH1A1TSHRMAPK1
SCHEMBL22801006 0.81 USP2 (0.57) USP2POLBALDH1A1TSHRMAPK1
SCHEMBL22800949 0.81 ALDH1A1 (0.57) USP2POLBALDH1A1TSHRMAPK1
SCHEMBL22800907 0.81 ALDH1A1 (0.57) USP2POLBALDH1A1TSHRMAPK1
SCHEMBL15749612 0.77 POLB (0.69) USP2POLBALDH1A1TSHRMAPK1
SCHEMBL22800985 0.77 HTT (0.63) USP2POLBALDH1A1TSHRMAPK1

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 3429/4885POLB 3452/4885ALDH1A1 1158/4885
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents XDH, PNP, MAVS USP2 3429/4885POLB 3452/4885ALDH1A1 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.

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