SCHEMBL17364332

SCHEMBL17364332

Nc1nc(-n2ccc(=O)cc2)c2[nH]cnc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.51
HRH4 Q9H3N8 1/20 0.51
PDPK1 O15530 1/20 0.50
GDA Q9Y2T3 1/20 0.50
CDK2 P24941 8/20 0.47
CDK1 P06493 7/20 0.44
CCNB1 P14635 7/20 0.44
CCNA2 P20248 7/20 0.44
CCNA1 P78396 7/20 0.44
MAP3K5 Q99683 1/20 0.44
PIN1 Q13526 5/20 0.44
MGMT P16455 4/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL17364327 0.82 XDH (0.44) DPP4PNPADORA2AADORA1CA12
SCHEMBL3773144 0.78 HRH4 (0.56) DPP4HRH4PDPK1GDACDK2
SCHEMBL17364285 0.77 CA12 (0.61) HRH4PDPK1MAP3K5LMNATSHR
SCHEMBL17364330 0.77 ADORA2A (0.40) DPP4HRH4PNPADORA2AADORA1
SCHEMBL3780112 0.77 HRH4 (0.51) DPP4HRH4PDPK1GDACDK2
SCHEMBL38942 0.73 HRH4 (0.85) DPP4HRH4PDPK1GDACDK2
6-Chloroguanine SCHEMBL64059 0.69 DPP4 (1.00) DPP4HRH4PDPK1GDACDK2
SCHEMBL2867588 0.69 PDPK1 (0.66) DPP4HRH4PDPK1GDACDK2
2,6-Diaminopurine SCHEMBL24053 0.68 PDPK1 (1.00) DPP4HRH4PDPK1GDACDK2
Hydrochloric Acid SCHEMBL7290518 0.68 HRH4 (0.70) DPP4HRH4PDPK1GDACDK2

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 DPP4 293/4885HRH4 1594/4885PDPK1 939/4885

“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.