SCHEMBL4113387

SCHEMBL4113387

Nc1nc(Cc2ccccc2)c2nc(-c3ccc(N4CCOCC4)cc3)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
MAPT P10636 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
AHR P35869 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HCRTR1 O43613 1/20 0.46
LMNA P02545 1/20 0.46
AKT1 P31749 1/20 0.44
PIK3CA P42336 1/20 0.44
NOS1 P29475 1/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL4112835 0.88 PIM1 (0.45) KDRPIM1
SCHEMBL4102191 0.86 ALK (0.44) KDM4EMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL4106229 0.84 MKNK2 (0.51) RAB9ANPC1ALDH1A1LMNAHPGD
SCHEMBL4113790 0.83 MPO (0.48) NOS1DHFRXDHADORA2AADORA1
SCHEMBL4103232 0.83 MAPT (0.47) KDM4EMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL4106851 0.82 MAPT (0.55) KDM4EMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL4105813 0.79 MPO (0.45) SMN1; SMN2DHFRADORA2AADORA1
SCHEMBL4113677 0.78 MAPK1 (0.41) KDM4EMAPTRAB9AALDH1A1LMNA
SCHEMBL4106793 0.78 MPO (0.44) DHFRHIPK1XDHATRADORA2A
SCHEMBL4095548 0.78 ADORA2A (0.46) MAPTNPC1ADORA2AADORA1

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 KDM4E 2414/4885MAPT 1752/4885RAB9A 3470/4885

“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.