SCHEMBL20041949

SCHEMBL20041949

N#Cc1nccnc1CBr

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
PAX8 Q06710 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL14647331 0.77 CYP11B1 (0.31) CYP11B1ALDH1A1LMNAMAPTPKM
SCHEMBL12844001 0.77 CYP2A6 (0.32) CYP11B1ALDH1A1LMNAMAPTPKM
SCHEMBL24424614 0.76 MAPK1 (0.39) CYP11B1ALDH1A1LMNAMAPTPKM
SCHEMBL1532108 0.74
SCHEMBL29350921 0.74 ALDH1A1 (0.38) CYP11B1ALDH1A1LMNAMAPTPKM
SCHEMBL217939 0.74 ALDH1A1 (0.38) CYP11B1ALDH1A1LMNAMAPTPKM
SCHEMBL1033248 0.71 ALDH1A1 (0.40) ALDH1A1MAPK1RAB9ANPSR1
SCHEMBL620327 0.69
SCHEMBL30510612 0.69
SCHEMBL929481 0.68 CYP11B1 (0.53) CYP11B1ALDH1A1LMNAMAPTPKM

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
EP-3305787-B1 XANTHINE DERIVATIVE JIANGSU TASLY DIYI PHARMACEUTICAL CO LTD (CN) 2022-02-16 EP disclosed
US-20180162860-A1 XANTHINE DERIVATIVE JIANGSU TASLY DIYI PHARMACEUTICAL CO., LTD. (CN) 2018-06-14 US disclosed
EP-3305787-A1 XANTHINE DERIVATIVE Jiangsu Tasly Diyi Pharmaceutical Co., Ltd. (CN) 2018-04-11 EP 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 (1 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-20180162860-A1 XANTHINE DERIVATIVE XDH, CXCR1, CBR1 CYP11B1 15/4885ALDH1A1 442/4885LMNA 791/4885

“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.