SCHEMBL4115396

SCHEMBL4115396

COc1ccc(Cc2nc(N)nc3ccc(Cl)nc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP2D6 P10635 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TLR8 Q9NR97 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
MDM4 O15151 1/20 0.42
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 0.42
APP P05067 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HEXA P06865 1/20 0.40
HEXB P07686 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4101906 0.85 DHFR (0.54) DHFRTLR8TLR7APP
SCHEMBL4106925 0.85 DHFR (0.47) DHFRTLR8TLR7APPSMN1; SMN2
SCHEMBL4096477 0.85 HSP90AB1 (0.50) DHFRALDH1A1CYP2D6TP53APP
SCHEMBL4100952 0.82 DHFR (0.47) DHFRTLR8TLR7APP
SCHEMBL4112619 0.82 DHFR (0.47) DHFRTLR8TLR7APP
SCHEMBL4115070 0.82 MPO (0.51) DHFRALDH1A1TLR8TLR7
SCHEMBL4103159 0.78 LTA4H (0.45) DHFRALDH1A1CYP2D6ATMNPSR1
SCHEMBL4107119 0.78 NOS1 (0.48) DHFRALDH1A1CYP2D6ATMTLR8
SCHEMBL4107735 0.77 DHFR (0.52) DHFRTLR8TLR7
SCHEMBL4095473 0.77 ADORA2A (0.56) DHFR

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
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

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 DHFR 145/4885ALDH1A1 1721/4885CYP2D6 21/4885

“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.