SCHEMBL20205797

SCHEMBL20205797

CN1c2cccnc2C(=O)NC1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
TNKS2 Q9H2K2 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
ABL1 P00519 1/20 0.34
PLCG1 P19174 1/20 0.34
CES1 P23141 1/20 0.34
PAX8 Q06710 1/20 0.34
RIN1 Q13671 1/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL20182463 0.76 TNKS2 (0.32) TNKS2
SCHEMBL20182603 0.73 ALDH1A1 (0.55) CES1GAAALDH1A1HSD17B10KDM4E
SCHEMBL20182449 0.69 ADORA3 (0.36) ADORA3ADORA2AADORA1MEN1THRB
SCHEMBL20182601 0.69 ADORA3 (0.38) ADORA3ADORA2AADORA1MEN1THRB
SCHEMBL22367362 0.67 PARP1 (0.37) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL18753027 0.65 PTPN1 (0.41) TDP1MEN1KMT2AGAAALDH1A1
SCHEMBL20808936 0.62 CASP2 (0.35) TDP2CES1MEN1KMT2AALDH1A1
SCHEMBL26969494 0.62 CES1 (0.50) ADORA3ADORA2AADORA1TDP1TDP2
SCHEMBL24691470 0.62 KMT2A (0.38) TDP1MEN1THRBKMT2AALDH1A1
SCHEMBL19035767 0.61 GDA (0.30)

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-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-31 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-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A ADORA3 97/4885ADORA2A 31/4885ADORA1 87/4885

“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.