SCHEMBL3605508

SCHEMBL3605508

C=CC(C)COc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.34
MAP4K4 O95819 8/20 0.34
DHFR P00374 2/20 0.33
MAPT P10636 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
ADORA2A P29274 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTR7 P34969 3/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
GAK O14976 1/20 0.31

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
SCHEMBL4102534 0.88 CDK1 (0.40) MPOMAP4K4DHFRMAPTTLR8
SCHEMBL3604655 0.84 MPO (0.38) MPOMAP4K4DHFRMAPTADORA2A
SCHEMBL3612640 0.83 NOS1 (0.41) DHFRMAPTKDM4EGAK
SCHEMBL13500400 0.83 CDK1 (0.43) MPOMAP4K4DHFRMAPTTLR8
SCHEMBL3612806 0.82 MPO (0.36) MPOMAP4K4DHFRMAPTADORA2A
SCHEMBL4122428 0.81 MPO (0.39) MPOMAP4K4DHFRMAPTTLR8
SCHEMBL3617717 0.80 MPO (0.35) MPOMAP4K4DHFRMAPTTLR8
SCHEMBL4108718 0.79 CDK1 (0.39) MPOMAP4K4DHFRMAPTTLR8
SCHEMBL4119298 0.79 MAP4K4 (0.39) MAP4K4DHFRTLR8TLR7ADORA2A
SCHEMBL3612390 0.79 MPO (0.36) MPOMAP4K4DHFRMAPTTLR8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US claimed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US claimed
WO-2008077650-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US disclosed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US disclosed
WO-2008077650-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 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-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, PLPBP, PDXK MPO 3705/4885MAP4K4 1170/4885DHFR 37/4885

“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.