SCHEMBL4113263

SCHEMBL4113263

CCOC(=O)c1ccc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.52
RARB P10826 1/20 0.52
RARG P13631 1/20 0.52
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 2/20 0.44
ATM Q13315 1/20 0.44
PDE2A O00408 1/20 0.44
POLB P06746 1/20 0.43
CYP1A2 P05177 2/20 0.43

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
SCHEMBL4101917 0.90 NPC1 (0.50) RARARARBRARGRAB9ANPC1
SCHEMBL4114228 0.88 ALDH1A1 (0.46) RAB9ANPC1KDM4ESMN1; SMN2HPGD
SCHEMBL4110194 0.85 ABCG2 (0.44) RARARARBRARGKDM4EHPGD
SCHEMBL4115064 0.84 RARA (0.47) RARARARBRARGRAB9ANPC1
SCHEMBL4104663 0.84 KDM4E (0.46) RAB9ANPC1KDM4ESMN1; SMN2HPGD
SCHEMBL4110165 0.83 KDM4E (0.52) KDM4ESMN1; SMN2HPGDALDH1A1HSD17B10
SCHEMBL4107056 0.83 PARP1 (0.46) RAB9ANPC1KDM4ESMN1; SMN2HPGD
SCHEMBL4104875 0.83 ADORA2A (0.43) RAB9ANPC1KDM4ESMN1; SMN2HPGD
SCHEMBL4103412 0.82 ADORA2A (0.42) RAB9ANPC1KDM4ESMN1; SMN2HPGD
SCHEMBL4110201 0.81 HSP90AA1 (0.46) RAB9ANPC1SMN1; SMN2LMNAPOLB

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 5 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-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 RARA 2352/4885RARB 2073/4885RARG 2319/4885

“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.