SCHEMBL4103647

SCHEMBL4103647

Nc1nc(Cc2ccccc2Cl)c2nc(Cl)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADCY10 Q96PN6 1/20 0.41
TNF P01375 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
MPO P05164 2/20 0.39
HTR6 P50406 1/20 0.39
ADORA1 P30542 1/20 0.38
DCPS Q96C86 1/20 0.38
MAP4K4 O95819 1/20 0.37
PNP P00491 1/20 0.37
AR P10275 1/20 0.37
PNMT P11086 1/20 0.36

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
SCHEMBL4113655 0.87 DHFR (0.37) MPODCPS
SCHEMBL4101484 0.86 TLR8 (0.46) MPOHTR6MAP4K4AR
SCHEMBL4107793 0.86 TLR8 (0.46) ADCY10MPOHTR6ADORA1DCPS
SCHEMBL4107735 0.83 DHFR (0.52) ADCY10HTR6ADORA1PNPAR
SCHEMBL4115070 0.82 MPO (0.51) ADCY10MPO
SCHEMBL4095553 0.80 TP53 (0.44) ADCY10MPOHTR6ADORA1DCPS
SCHEMBL4096477 0.77 HSP90AB1 (0.50) ADCY10TNFNOD2NOD1MPO
SCHEMBL4102554 0.75 DHFR (0.44)
SCHEMBL4107224 0.75 MAP4K4 (0.45) ADCY10MPOHTR6DCPSMAP4K4
SCHEMBL4106925 0.74 DHFR (0.47) MPOHTR6

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 ADCY10 4839/4885TNF 3789/4885NOD2 335/4885

“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.