SCHEMBL823231

SCHEMBL823231

N#Cc1ccc(Cn2c(Br)nc3c(NCc4ccccc4)nc(Cl)nc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.48
CTSL P07711 9/20 0.48
ADORA2A P29274 3/20 0.45
ADORA1 P30542 3/20 0.45
TMIGD3 P0DMS9 2/20 0.45
ADORA2B P29275 2/20 0.45
PDE5A O76074 1/20 0.42
APP P05067 1/20 0.42
YTHDC1 Q96MU7 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
CDC7 O00311 1/20 0.39

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
SCHEMBL823239 0.82 TLR7 (0.50) CTSLADORA2AADORA1TMIGD3ADORA2B
SCHEMBL823232 0.78 ADORA2A (0.47) ADORA2AADORA1TMIGD3ADORA2B
SCHEMBL2913215 0.71 ADORA2A (0.67) ADORA2AADORA1TMIGD3ADORA2BMAPK1
SCHEMBL823178 0.71 TLR7 (0.50) CTSL
SCHEMBL7939004 0.69 APP (0.68) CDK1PDE5AAPP
SCHEMBL7208425 0.69 ADORA2A (0.76) ADORA2AADORA1TMIGD3ADORA2BAPP
SCHEMBL14944655 0.67 ADORA2A (0.61) CTSLADORA2AADORA1TMIGD3ADORA2B
SCHEMBL20350685 0.66 CDK1 (0.73) CDK1CTSLADORA2AADORA1TMIGD3
SCHEMBL5132410 0.66 ADORA2A (0.67) CDK1ADORA2AADORA1TMIGD3ADORA2B
SCHEMBL24600679 0.66 CDK1 (0.73) CDK1CTSLADORA2AADORA1TMIGD3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009247-A1 PHOSPHOLIPID DRUG ANALOGS BIOPHARMA CREDIT PLC (GB) 2012-01-12 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 (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-20120009247-A1 PHOSPHOLIPID DRUG ANALOGS PHOSPHO1, PXMP4, SGMS1 CDK1 1061/4885CTSL 4404/4885ADORA2A 1208/4885

“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.