SCHEMBL17364330

SCHEMBL17364330

Nc1nc(-n2ccc(=O)cc2)c2nc[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
PARP1 P09874 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
HRH4 Q9H3N8 3/20 0.31
DPP4 P27487 1/20 0.31
PNP P00491 1/20 0.30
KDM4A O75164 1/20 0.30
KDM4B O94953 1/20 0.30
KDM5C P41229 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL27324270 0.84 HRH4 (0.33) HRH4DPP4
SCHEMBL17364326 0.82 AURKA (0.33) ADORA2AADORA1PARP1KDM4AKDM4B
SCHEMBL17364302 0.80 CA12 (0.39) ADORA2AADORA1PARP1CA12CA1
SCHEMBL3773140 0.78 HRH4 (0.33) HRH4DPP4
SCHEMBL17364332 0.77 DPP4 (0.51) ADORA2AADORA1CA12CA1CA2
SCHEMBL3780109 0.77 ADORA2A (0.40) ADORA2AADORA1HRH4
SCHEMBL8826198 0.71 HRH4 (0.50) HRH4
SCHEMBL8830247 0.71 CHUK (0.48) HRH4
SCHEMBL8830437 0.70 CHUK (0.50) HRH4
SCHEMBL8826309 0.70 CHUK (0.50) HRH4

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.