SCHEMBL4096477

SCHEMBL4096477

Nc1nc(Cc2ccc(Cl)cc2)c2nc(Cl)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.50
DHFR P00374 3/20 0.49
APP P05067 1/20 0.39
ADCY10 Q96PN6 1/20 0.39
MPO P05164 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
SLC22A1 O15245 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
HEXA P06865 1/20 0.37
HEXB P07686 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTR2A P28223 1/20 0.37
ADRA1A P35348 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
SCHEMBL4100952 0.88 DHFR (0.47) HSP90AB1DHFRAPPMPO
SCHEMBL4106925 0.88 DHFR (0.47) HSP90AB1DHFRAPPMPOHEXA
SCHEMBL4112619 0.88 DHFR (0.47) HSP90AB1DHFRAPPADCY10MPO
SCHEMBL4115070 0.88 MPO (0.51) DHFRADCY10MPOALDH1A1
SCHEMBL4115396 0.85 DHFR (0.50) DHFRAPPALDH1A1LMNATP53
SCHEMBL4107224 0.83 MAP4K4 (0.45) DHFRAPPADCY10MPOHTR6
SCHEMBL4102044 0.79 MAPT (0.42) HSP90AB1DHFRADCY10ALDH1A1MEN1
SCHEMBL4102709 0.78 APP (0.43) DHFRAPPMPOCYP1A2CYP3A4
SCHEMBL4107697 0.78 TLR8 (0.47) APPADCY10MPOMEN1CYP1A2
SCHEMBL4106480 0.78 TLR8 (0.48) DHFRAPPADCY10MPOHEXA

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 HSP90AB1 4606/4885DHFR 145/4885APP 2339/4885

“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.