SCHEMBL4100927

SCHEMBL4100927

COc1cc(OC)cc(-c2nc(N)nc3ccc(-c4ccc(F)cc4)nc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.43
ADORA1 P30542 3/20 0.43
ADORA2B P29275 2/20 0.43
MAP4K4 O95819 1/20 0.41
DYRK1A Q13627 1/20 0.41
MAPK14 Q16539 1/20 0.41
SCN9A Q15858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAK O14976 1/20 0.39
APP P05067 1/20 0.39
CYP1B1 Q16678 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP4B1 P13584 1/20 0.39

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
SCHEMBL4115112 0.90 ADORA2A (0.51) ADORA2AADORA1DYRK1AMAPK14SCN9A
SCHEMBL4106777 0.86 SLC10A2 (0.46) ADORA2AADORA1GAKMAPT
SCHEMBL4108402 0.84 MAP4K4 (0.47) ADORA2AADORA1ADORA2BMAP4K4SCN9A
SCHEMBL4103607 0.84 SLC10A2 (0.46) ADORA1KDM4EGAK
SCHEMBL4112813 0.84 ADORA2A (0.54) ADORA2AADORA1ADORA2BMAP4K4SCN9A
SCHEMBL4107626 0.84 ADORA2A (0.43) ADORA2AADORA1ADORA2BMAP4K4DYRK1A
SCHEMBL4096163 0.83 DHFR (0.50) ADORA2ADYRK1AMAPK14SCN9AKDM4E
SCHEMBL4101966 0.83 CYP1A1 (0.53) ADORA2AADORA1DYRK1AMAPK14SCN9A
SCHEMBL4104651 0.81 MAP4K4 (0.50) MAP4K4MAPK14GAKAPPCYP1B1
SCHEMBL4114902 0.81 MAP4K4 (0.50) ADORA2AADORA1ADORA2BMAP4K4SCN9A

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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD ADORA2A 165/4885ADORA1 163/4885ADORA2B 190/4885

“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.