SCHEMBL3603372

SCHEMBL3603372

C#CCCCOc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 2/20 0.35
MPO P05164 1/20 0.35
DHFR P00374 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABCG2 Q9UNQ0 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ADORA2A P29274 1/20 0.33
MGMT P16455 1/20 0.32
MAP4K4 O95819 3/20 0.32
TOP1 P11387 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
SCHEMBL3613567 0.94 MAOA (0.38) MAOAMAOBACHEKDM4EMPO
SCHEMBL3603371 0.87 MAOB (0.48) MAOAMAOBACHEKDM4EMPO
SCHEMBL4113486 0.85 TLR8 (0.42) KDM4EMPODHFRMEN1MAPT
SCHEMBL4524522 0.84 MAPT (0.46) KDM4EMPODHFRMEN1MAPT
SCHEMBL4108718 0.83 CDK1 (0.39) KDM4EMPODHFRMEN1MAPT
SCHEMBL3605503 0.83 MAPT (0.34) KDM4EMPODHFRMEN1MAPT
SCHEMBL3613491 0.82 SQOR (0.45) KDM4EMPODHFRMEN1MAPT
SCHEMBL3612806 0.81 MPO (0.36) KDM4EMPODHFRMEN1MAPT
SCHEMBL4122428 0.81 MPO (0.39) KDM4EMPODHFRMAPTALDH1A1
SCHEMBL3608749 0.81 NCF1 (0.38) KDM4EMPODHFRMAPTADORA2A

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 MAOA 677/4885MAOB 243/4885ACHE 2649/4885

“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.