SCHEMBL20783386

SCHEMBL20783386

Bc1nc2c([nH]1)c(=O)n(C)c(=O)n2C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
HSD17B10 Q99714 3/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP3A4 P08684 2/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
ADORA2B P29275 4/20 0.54
ADORA2A P29274 3/20 0.54
CYP1A2 P05177 2/20 0.54
ADORA3 P0DMS8 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ADORA1 P30542 1/20 0.54
BLM P54132 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
NFKB1 P19838 1/20 0.54
MAPK1 P28482 1/20 0.54
PMP22 Q01453 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
SCHEMBL461786 0.79 PDE2A (0.62) POLBHSD17B10ALDH1A1CYP3A4CASP1
SCHEMBL515792 0.78 POLB (0.57) POLBHSD17B10ALDH1A1CYP3A4CASP1
8-Chlorotheophylline SCHEMBL411139 0.78 POLB (0.57) POLBHSD17B10ALDH1A1CYP3A4CASP1
SCHEMBL11185440 0.78 POLB (0.57) POLBHSD17B10ALDH1A1CYP3A4CASP1
SCHEMBL1400610 0.78 ADORA2B (0.57) POLBHSD17B10ALDH1A1CYP3A4CASP1
SCHEMBL9122777 0.78 ALDH1A1 (0.59) POLBHSD17B10ALDH1A1CYP3A4CASP1
SCHEMBL3194191 0.78 ADORA2A (0.59) POLBHSD17B10ALDH1A1CYP3A4CASP1
Pamabrom SCHEMBL237881 0.78 POLB (0.61) POLBHSD17B10ALDH1A1CYP3A4CASP1
Water SCHEMBL28799658 0.78 PDE2A (0.60) POLBHSD17B10ALDH1A1CYP3A4CASP1
8-Chlorotheophylline SCHEMBL5719335 0.76 POLB (0.55) POLBHSD17B10ALDH1A1CYP3A4CASP1

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-20190070184-A1 DEUTERATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING CARDIOVASCULAR DISEASES Cardix Therapeutics LLC (US) 2019-03-07 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-20190070184-A1 DEUTERATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING CARDIOVASCULAR DISEASES ADRB2, ADRA2C, ADRB1 POLB 1527/4885HSD17B10 1263/4885ALDH1A1 1867/4885

“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.