SCHEMBL4102317

SCHEMBL4102317

Nc1nc(Cc2ccccc2)c2nc(-c3ccc(OCc4ccccc4)nc3)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.41
NUDT1 P36639 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
MPO P05164 2/20 0.39
DCPS Q96C86 1/20 0.38
MGMT P16455 2/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
GHSR Q92847 2/20 0.36
XDH P47989 1/20 0.35
DHFR P00374 1/20 0.35
JAK3 P52333 1/20 0.35
PKM P14618 1/20 0.35
TPO P07202 1/20 0.35
CYP3A4 P08684 1/20 0.35
EPX P11678 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
SCHEMBL4100777 0.89 PIK3CA (0.51) PIK3CAMTORMPOTLR8TLR7
SCHEMBL4112530 0.89 PIK3CA (0.40) LOXL2NUDT1PIK3CAMTORDCPS
Dimethylamine SCHEMBL4107584 0.87 PIK3CA (0.39) NUDT1PIK3CAMTORMPOTLR8
SCHEMBL4108170 0.86 LOXL2 (0.42) LOXL2NUDT1PIK3CAMTORDCPS
SCHEMBL4097013 0.85 MPO (0.43) PIK3CAMTORMPODHFRCYP3A4
SCHEMBL4107582 0.85 ATM (0.53) MTOR
SCHEMBL4109860 0.84 MPO (0.42) PIK3CAMTORMPOXDHDHFR
SCHEMBL4101754 0.83 MPO (0.41) PIK3CAMTORMPODHFRMAP4K4
SCHEMBL4097181 0.83 MPO (0.41) PIK3CAMTORMPODHFRMAP4K4
SCHEMBL4108245 0.83 MPO (0.41) PIK3CAMTORMPOXDHDHFR

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 LOXL2 1926/4885NUDT1 8/4885PIK3CA 588/4885

“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.