SCHEMBL17364302

SCHEMBL17364302

O=c1ccn(-c2ncnc3[nH]cnc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4A O75164 1/20 0.35
KDM4B O94953 1/20 0.35
KDM5C P41229 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PARP1 P09874 1/20 0.32
JAK3 P52333 1/20 0.30
JAK2 O60674 1/20 0.30

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
SCHEMBL4653907 0.83 ALDH1A1 (0.33) CA12CA1CA2CA9KDM4A
SCHEMBL17371002 0.81 CA12 (0.33) CA12CA1CA2CA9KDM4A
SCHEMBL17364330 0.80 ADORA2A (0.40) CA12CA1CA2CA9KDM4A
SCHEMBL17364326 0.77 AURKA (0.33) KDM4AKDM4BKDM5CKDM5BADORA2A
SCHEMBL562492 0.76 HTT (0.31) JAK3
SCHEMBL17364290 0.75 ADORA2A (0.35) CA12CA1CA2CA9ADORA2A
SCHEMBL3768067 0.74 ALDH1A1 (0.41)
SCHEMBL17364285 0.74 CA12 (0.61) CA12CA1CA2CA9
SCHEMBL17364273 0.73 PDPK1 (0.43) JAK3JAK2
SCHEMBL10447830 0.72 ALDH1A1 (0.46) CA12CA1CA2CA9PARP1

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 3 patents. 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
US-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods ZHONG MINGHONG (US) 2015-12-31 US disclosed
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 CA12 4219/4885CA1 4333/4885CA2 3452/4885

“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.