SCHEMBL17364288

SCHEMBL17364288

O=c1c(-c2ccccc2)cn(-c2nc(Cl)nc3nc[nH]c23)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.46
ADORA2A P29274 6/20 0.46
ADORA1 P30542 6/20 0.46
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
XDH P47989 1/20 0.38
ADORA2B P29275 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL17364275 0.81 ALOX15 (0.50) ADORA3ADORA2AADORA1ALDH1A1GAA
SCHEMBL17364287 0.81 PDPK1 (0.40) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL17364279 0.78 XDH (0.46) ADORA3ADORA1XDHKDM4EALDH1A1
SCHEMBL17364327 0.75 XDH (0.44) ADORA3ADORA2AADORA1XDHALDH1A1
SCHEMBL3771500 0.71 ADORA3 (0.46) ADORA3ADORA2AADORA1PIK3CDPIK3R1
SCHEMBL17860812 0.69 MAPT (0.54) ADORA3ADORA2AADORA1ADORA2BHTT
SCHEMBL17364273 0.68 PDPK1 (0.43) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL17364320 0.68 YTHDC1 (0.41) ADORA2AADORA1ADORA2BALDH1A1TSHR
SCHEMBL3799224 0.67 XDH (0.44) ADORA3ADORA2AADORA1XDHKDM4E
SCHEMBL4905421 0.64 ADORA3 (0.65) ADORA3ADORA2AADORA1XDHADORA2B

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-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods ZHONG MINGHONG (US) 2015-12-31 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-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods PNP, ATIC, NT5C3B ADORA3 66/4885ADORA2A 36/4885ADORA1 174/4885

“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.