SCHEMBL17364290

SCHEMBL17364290

Cc1cn(-c2ncnc3[nH]cnc23)cc(C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PARP1 P09874 2/20 0.33
PDPK1 O15530 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
BRD4 O60885 1/20 0.31

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
SCHEMBL17364278 0.78 ADORA2A (0.33) ADORA2AADORA1PARP1PDPK1
SCHEMBL17364273 0.76 PDPK1 (0.43) PDPK1JAK2
SCHEMBL17364291 0.76 CA12 (0.52) PDPK1CA12CA1CA2CA9
SCHEMBL17364302 0.75 CA12 (0.39) ADORA2AADORA1PARP1CA12CA1
SCHEMBL4653907 0.74 ALDH1A1 (0.33) CA12CA1CA2CA9
SCHEMBL562492 0.74 HTT (0.31)
SCHEMBL17371002 0.70 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL6755688 0.70 HTT (0.47) PDPK1
SCHEMBL3768067 0.69 ALDH1A1 (0.41) BRD4
SCHEMBL31740761 0.67 HTT (0.53) PDPK1JAK2

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 ADORA2A 36/4885ADORA1 174/4885PARP1 448/4885

“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.