SCHEMBL3611263

SCHEMBL3611263

CC#CCOc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.36
MAP4K4 O95819 3/20 0.35
DHFR P00374 2/20 0.35
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
ADORA2A P29274 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33
GAK O14976 1/20 0.32
SCN9A Q15858 1/20 0.32
MGMT P16455 1/20 0.32
EDNRA P25101 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
TRPV3 Q8NET8 1/20 0.32

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
SCHEMBL3610462 0.90 MPO (0.35) MPOMAP4K4DHFRKDM4EMAPT
SCHEMBL3605503 0.89 MAPT (0.34) MPOMAP4K4DHFRKDM4EMAPT
SCHEMBL3603371 0.86 MAOB (0.48) MPOMAP4K4DHFRKDM4EMEN1
SCHEMBL4122428 0.84 MPO (0.39) MPOMAP4K4DHFRKDM4EMAPT
SCHEMBL4108718 0.82 CDK1 (0.39) MPOMAP4K4DHFRKDM4EMAPT
SCHEMBL4102534 0.81 CDK1 (0.40) MPOMAP4K4DHFRKDM4EMAPT
SCHEMBL3613491 0.81 SQOR (0.45) MPOMAP4K4DHFRKDM4EMAPT
SCHEMBL4113486 0.81 TLR8 (0.42) MPODHFRKDM4EMAPTMEN1
SCHEMBL4524522 0.81 MAPT (0.46) MPOMAP4K4DHFRKDM4EMAPT
SCHEMBL4529689 0.81 MPO (0.55) MPODHFRKDM4EMAPTMEN1

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 3 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

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.