SCHEMBL4107600

SCHEMBL4107600

Nc1nc(Cc2ccccc2)c2nc(-c3ccc4c(c3)CCO4)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.51
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
GSK3B P49841 5/20 0.41
PLA2G10 O15496 1/20 0.38
MPO P05164 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
FABP4 P15090 3/20 0.37
ERN1 O75460 1/20 0.36
MAP4K4 O95819 1/20 0.36
NPC1 O15118 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PLAU P00749 1/20 0.35

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 0.89 ADORA2A (0.46) RAB9ASMN1; SMN2MAPTMPOADORA3
SCHEMBL4101825 0.87 ADORA2A (0.45) RAB9ASMN1; SMN2MAPTMPOADORA3
SCHEMBL4105052 0.83 DYRK1A (0.53) DYRK1ARAB9ASMN1; SMN2MAPTPLA2G10
SCHEMBL4108270 0.83 DYRK1A (0.55) DYRK1ARAB9ASMN1; SMN2MAPTGSK3B
SCHEMBL4107548 0.80 MET (0.41) MPOADORA2AMAP4K4
SCHEMBL4107221 0.79 CYP1A1 (0.49) RAB9ASMN1; SMN2MAPTMPOADORA2A
SCHEMBL4113790 0.79 MPO (0.48) MPOADORA2AADORA1MAP4K4
SCHEMBL4097615 0.77 MPO (0.35) MPOMAP4K4
SCHEMBL4105813 0.76 MPO (0.45) SMN1; SMN2MPOADORA2AADORA1MAP4K4
SCHEMBL4113387 0.75 KDM4E (0.51) RAB9ASMN1; SMN2MAPTADORA2AADORA1

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 DYRK1A 287/4885RAB9A 3470/4885SMN1; SMN2 2079/4885

“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.