SCHEMBL3605503

SCHEMBL3605503

CC#CCCOc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
MPO P05164 1/20 0.34
MAP4K4 O95819 4/20 0.34
DHFR P00374 2/20 0.34
SQOR Q9Y6N5 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
ADORA2A P29274 1/20 0.32
GAK O14976 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SCN9A Q15858 1/20 0.31
MGMT P16455 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
DHPS P49366 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
SCHEMBL3611263 0.89 MPO (0.36) MAPTMPOMAP4K4DHFRKDM4E
SCHEMBL3613567 0.86 MAOA (0.38) MAPTMPOMAP4K4DHFRSQOR
SCHEMBL4108718 0.85 CDK1 (0.39) MAPTMPOMAP4K4DHFRKDM4E
SCHEMBL3613491 0.84 SQOR (0.45) MAPTMPOMAP4K4DHFRSQOR
SCHEMBL4113486 0.84 TLR8 (0.42) MAPTMPODHFRKDM4EMEN1
SCHEMBL4524522 0.83 MAPT (0.46) MAPTMPOMAP4K4DHFRKDM4E
SCHEMBL3603372 0.83 MAOA (0.37) MAPTMPOMAP4K4DHFRKDM4E
SCHEMBL3605603 0.83 NOS1 (0.41) MAPTDHFRKDM4EMEN1KMT2A
SCHEMBL4122428 0.82 MPO (0.39) MAPTMPOMAP4K4DHFRKDM4E
SCHEMBL3608749 0.82 NCF1 (0.38) MAPTMPOMAP4K4DHFRSQOR

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 9 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-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US disclosed
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
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 MAPT 3190/4885MPO 3705/4885MAP4K4 1170/4885

“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.