SCHEMBL3608757

SCHEMBL3608757

Nc1nc(OCC2CCCCO2)c2nc(-c3ccc(C(=O)O)cc3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSD P07339 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
FFAR2 O15552 1/20 0.39
GRM4 Q14833 1/20 0.38
OXTR P30559 2/20 0.38
AVPR1A P37288 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
MGLL Q99685 1/20 0.37
HCAR3 P49019 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
SCHEMBL3606838 0.97 CTSD (0.41) NPC1RAB9ASMN1; SMN2CTSDIRAK4
SCHEMBL3615790 0.87 GRIN2B (0.41) RAB9AIRAK4FFAR2GRM4KMT2A
SCHEMBL13500404 0.84 MAPK14 (0.40) RAB9AKMT2AKDM4EALDH1A1
SCHEMBL3599426 0.82 XDH (0.43) IRAK4FFAR2GRM4
SCHEMBL3616137 0.78 PDE4A (0.42) KDM4EALDH1A1
SCHEMBL3600185 0.78 FFAR2 (0.40) NPC1RAB9ASMN1; SMN2IRAK4FFAR2
SCHEMBL3612167 0.77 CHEK2 (0.37) IRAK4KDM4EALDH1A1
SCHEMBL3605500 0.75 FFAR2 (0.37) NPC1RAB9ASMN1; SMN2FFAR2MEN1
SCHEMBL4584986 0.75 POLB (0.38) NPC1RAB9AIRAK4FFAR2KDM4E
SCHEMBL3340899 0.74 RAB9A (0.53) NPC1RAB9ASMN1; SMN2GRM4MEN1

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-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US claimed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US claimed
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US disclosed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US disclosed
WO-2008077650-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 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-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, PLPBP, PDXK NPC1 2663/4885RAB9A 2119/4885SMN1; SMN2 2611/4885

“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.