SCHEMBL3606838

SCHEMBL3606838

Nc1nc(OCC2CCCO2)c2nc(-c3ccc(C(=O)O)cc3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.41
OXTR P30559 2/20 0.40
AVPR1A P37288 2/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 2/20 0.40
HTT P42858 1/20 0.40
HCAR3 P49019 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
GPR84 Q9NQS5 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3608757 0.97 NPC1 (0.40) CTSDOXTRAVPR1ARAB9ANPC1
SCHEMBL13500404 0.86 MAPK14 (0.40) RAB9AKDM4EALDH1A1KMT2ANPSR1
SCHEMBL3615790 0.83 GRIN2B (0.41) RAB9AKDM4EALDH1A1KMT2ANPSR1
SCHEMBL3599426 0.83 XDH (0.43) IRAK4
SCHEMBL4584986 0.78 POLB (0.38) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL3605500 0.77 FFAR2 (0.37) RAB9ANPC1LMNAKDM4EMEN1
SCHEMBL3612167 0.77 CHEK2 (0.37) KDM4EALDH1A1IRAK4
SCHEMBL3616137 0.77 PDE4A (0.42) KDM4EALDH1A1
SCHEMBL3600185 0.75 FFAR2 (0.40) RAB9ANPC1LMNAKDM4EMEN1
SCHEMBL3340899 0.75 RAB9A (0.53) RAB9ANPC1LMNAKDM4EMEN1

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-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

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 CTSD 3133/4885OXTR 2004/4885AVPR1A 368/4885

“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.