SCHEMBL4101825

SCHEMBL4101825

Nc1nc(Cc2ccccc2)c2nc(-c3ccc4c(c3)OCCCO4)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.45
ADORA1 P30542 3/20 0.45
ADORA3 P0DMS8 1/20 0.45
RAB9A P51151 9/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 6/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 8/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MPO P05164 1/20 0.38
SRC P12931 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.37

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
SCHEMBL4106273 0.96 ADORA2A (0.46) ADORA2AADORA1ADORA3RAB9AALDH1A1
SCHEMBL4107600 0.87 DYRK1A (0.51) ADORA2AADORA1ADORA3RAB9AMAPT
SCHEMBL4115817 0.83 NPC1 (0.43) ADORA2AADORA1ADORA3RAB9AALDH1A1
SCHEMBL4097675 0.83 ADORA2A (0.51) ADORA2AADORA1ADORA3RAB9AALDH1A1
SCHEMBL4107221 0.80 CYP1A1 (0.49) ADORA2AADORA1RAB9AALDH1A1MAPT
SCHEMBL4113790 0.79 MPO (0.48) ADORA2AADORA1MPOMAP4K4
SCHEMBL4106506 0.78 NPC1 (0.43) ADORA2AADORA1ADORA3RAB9AALDH1A1
SCHEMBL4114837 0.78 ADORA2A (0.53) ADORA2AADORA1ADORA3RAB9AALDH1A1
SCHEMBL4105813 0.76 MPO (0.45) ADORA2AADORA1SMN1; SMN2MPOTP53
SCHEMBL4113387 0.76 KDM4E (0.51) ADORA2AADORA1RAB9AALDH1A1MAPT

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 4 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
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 ADORA2A 165/4885ADORA1 163/4885ADORA3 31/4885

“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.