SCHEMBL4102240

SCHEMBL4102240

CCCc1nc(N)nc2ccc(-c3ccc(-c4ccc(C(=O)c5ccccc5)cc4)cc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.41
PPARG P37231 2/20 0.39
CHEK2 O96017 1/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABL1 P00519 1/20 0.37
FABP6 P51161 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ADORA2A P29274 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MCHR1 Q99705 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 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
SCHEMBL4103588 0.99 DHFR (0.41) DHFRPPARGCHEK2RAB9AMEN1
SCHEMBL4097666 0.86 TLR8 (0.43) DHFRCHEK2RAB9ANPC1TP53
SCHEMBL4106206 0.85 MPO (0.41) DHFRCHEK2RAB9AMEN1KMT2A
SCHEMBL4095783 0.84 MPO (0.41) DHFRCHEK2MEN1KMT2AABL1
SCHEMBL4847011 0.84 MAP4K4 (0.41) DHFRCHEK2
SCHEMBL4109882 0.83 TLR8 (0.48) DHFRRAB9ANPC1TP53SMN1; SMN2
SCHEMBL4110201 0.82 HSP90AA1 (0.46) DHFRRAB9AMEN1KMT2ANPC1
SCHEMBL4101142 0.81 MAP4K4 (0.44) DHFR
SCHEMBL4114967 0.81 NPC1 (0.43) DHFRCHEK2RAB9ANPC1TP53
SCHEMBL4100948 0.81 CA12 (0.39) DHFRRAB9ANPC1TP53SMN1; SMN2

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-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US claimed
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 DHFR 145/4885PPARG 646/4885CHEK2 2583/4885

“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.