SCHEMBL17364327

SCHEMBL17364327

O=c1ccn(-c2nc(Cl)nc3nc[nH]c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.44
DPP4 P27487 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TMIGD3 P0DMS9 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PNP P00491 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
SCHEMBL17364332 0.82 DPP4 (0.51) DPP4CA12CA1CA2CA9
SCHEMBL17364279 0.77 XDH (0.46) XDHDPP4ADORA3ADORA1ALDH1A1
SCHEMBL17364285 0.77 CA12 (0.61) XDHCA12CA1CA2CA9
SCHEMBL3799224 0.77 XDH (0.44) XDHDPP4ADORA3ADORA2AADORA1
SCHEMBL17364326 0.77 AURKA (0.33) ADORA2AADORA1
SCHEMBL17364288 0.75 ADORA3 (0.46) XDHADORA3ADORA2AADORA1ALDH1A1
SCHEMBL4905421 0.70 ADORA3 (0.65) XDHADORA3ADORA2AADORA1
SCHEMBL2877709 0.69 XDH (0.56) XDHDPP4ADORA3SMN1; SMN2TMIGD3
SCHEMBL37384 0.68 DPP4 (0.66) XDHDPP4ADORA3SMN1; SMN2TMIGD3
SCHEMBL17860812 0.68 MAPT (0.54) ADORA3ADORA2AADORA1

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 XDH 908/4885DPP4 293/4885CA12 4219/4885

“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.