SCHEMBL4097056

SCHEMBL4097056

Nc1nc(C2CC2)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PDE5A O76074 1/20 0.39
GAK O14976 1/20 0.39
ADORA2A P29274 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ADORA1 P30542 1/20 0.38
MAP4K4 O95819 5/20 0.37
DHFR P00374 2/20 0.37
PRKAA2 P54646 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ALOX5 P09917 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC1 Q13547 1/20 0.36
SCN9A Q15858 1/20 0.34

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
SCHEMBL4112242 0.95 PDE5A (0.42) HRH2HRH3PDE5AGAKADORA2A
SCHEMBL4106778 0.93 PDE5A (0.44) HRH2HRH3PDE5AGAKADORA2A
SCHEMBL4105791 0.83 GAK (0.39) PDE5AGAKADORA2AKDM4EADORA1
SCHEMBL4106564 0.79 MAP4K4 (0.44) GAKMAP4K4
SCHEMBL4112813 0.78 ADORA2A (0.54) HRH2HRH3GAKADORA2AKDM4E
Ammonia Solution, Strong SCHEMBL3755819 0.77 NOS1 (0.50) HRH2HRH3ADORA2AKDM4EADORA1
SCHEMBL4101254 0.77 DHFR (0.47) GAKADORA2AKDM4EMAP4K4DHFR
SCHEMBL4097671 0.76 SYK (0.41) ALDH1A1RAB9A
SCHEMBL3609165 0.76 PDE5A (0.38) HRH2HRH3PDE5AGAKADORA2A
SCHEMBL3614537 0.76 PDE5A (0.40) HRH2HRH3PDE5AGAKADORA2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD HRH2 1215/4885HRH3 1351/4885PDE5A 893/4885

“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.