SCHEMBL22800969

SCHEMBL22800969

Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 1.00
▸ MEN1 O00255 1/20 1.00
▸ KMT2A Q03164 1/20 1.00
▸ PKM P14618 1/20 0.64
▸ RECQL P46063 1/20 0.60
▸ MDM2 Q00987 1/20 0.60
▸ HPGD P15428 2/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ MAPK1 P28482 3/20 0.59
▸ LMNA P02545 2/20 0.59
▸ GAA P10253 3/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ TP53 P04637 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ MAPT P10636 2/20 0.54
▸ POLB P06746 2/20 0.54
▸ HTT P42858 1/20 0.54

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
SCHEMBL4668605 0.88 ALDH1A1 (0.79) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL4668659 0.87 ALDH1A1 (0.77) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL22800970 0.86 ALDH1A1 (0.76) ALDH1A1MEN1KMT2APKMRECQL
SCHEMBL637424 0.86 ALDH1A1 (0.76) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL22800910 0.85 ALDH1A1 (0.74) ALDH1A1MEN1KMT2APKMRECQL
SCHEMBL4668580 0.85 ALDH1A1 (0.74) ALDH1A1MEN1KMT2APKMRECQL
SCHEMBL4667808 0.83 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL4667126 0.83 RECQL (0.76) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL22800953 0.83 ALDH1A1 (0.70) ALDH1A1MEN1KMT2APKMRECQL
SCHEMBL3893257 0.82 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ARECQLMDM2

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 3 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
CN-102807568-A Thiadiazole derivative DPP-IV (dipeptidyl peptidase IV) inhibitor JIANGSU CHIA TAI TIANQING PHAR 2012-12-05 — — CN 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 1158/4885MEN1 4456/4885KMT2A 2568/4885
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents XDH, PNP, MAVS ALDH1A1 1158/4885MEN1 4456/4885KMT2A 2568/4885

“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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