SCHEMBL22801004

SCHEMBL22801004

COC(=O)c1ccc(Cn2c(N)nc3c2c(=O)[nH]c(=O)n3C)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ PKM P14618 2/20 0.44
▸ BRDT Q58F21 1/20 0.43
▸ TP53 P04637 2/20 0.43
▸ CYP2C9 P11712 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ G6PD P11413 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL22800955 0.89 ALDH1A1 (0.66) ALDH1A1MEN1KMT2APKMCYP2C9
SCHEMBL22800937 0.78 HTT (0.52) ALDH1A1MEN1KMT2APKMTP53
SCHEMBL22800970 0.72 ALDH1A1 (0.76) ALDH1A1MEN1KMT2APKMBRDT
SCHEMBL18317624 0.69 ALDH1A1 (0.52) ALDH1A1TP53CYP2C9SMN1; SMN2TSHR
SCHEMBL20725308 0.68 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ACYP2C9SMN1; SMN2
SCHEMBL22800969 0.67 ALDH1A1 (1.00) ALDH1A1MEN1KMT2APKMTP53
SCHEMBL1495847 0.65 LOXL2 (0.54) ALDH1A1MEN1KMT2ATP53CYP2C9
SCHEMBL4123831 0.65 DPP4 (0.51) ALDH1A1MEN1KMT2ATP53CYP2C9
SCHEMBL22800910 0.65 ALDH1A1 (0.74) ALDH1A1MEN1KMT2APKMBRDT
SCHEMBL15847254 0.65 CHKA (0.54) ALDH1A1MEN1KMT2AMAPTKDM4E

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 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.

Send feedback