SCHEMBL4526207

SCHEMBL4526207

Fc1ccc(-c2ccc3ncnc(N4CCOCC4)c3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.55
MKNK2 Q9HBH9 2/20 0.55
LRRK2 Q5S007 3/20 0.52
STK4 Q13043 2/20 0.52
STK3 Q13188 2/20 0.52
ADK P55263 1/20 0.52
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
AR P10275 1/20 0.49
MAP4K4 O95819 2/20 0.47
PTK2 Q05397 1/20 0.47
ALDH1A1 P00352 6/20 0.46
MAPK1 P28482 4/20 0.46
HIF1A Q16665 4/20 0.46
CLK4 Q9HAZ1 4/20 0.46
LMNA P02545 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
TSHR P16473 4/20 0.45
CYP2C19 P33261 3/20 0.45

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
SCHEMBL4108770 0.87 ADK (0.65) MKNK1MKNK2ADKNPC1RAB9A
SCHEMBL4114309 0.82 NOS1 (0.52) MKNK1MKNK2LRRK2STK4STK3
SCHEMBL4116717 0.81 AR (0.52) MKNK1MKNK2LRRK2ADKAR
SCHEMBL3760563 0.81 ADK (0.67) LRRK2STK4STK3ADKNPC1
SCHEMBL4357245 0.78 CLK4 (0.70) LRRK2STK4STK3MAP4K4PTK2
SCHEMBL31114094 0.75 PTK2 (0.54) LRRK2ADKNPC1RAB9APTK2
SCHEMBL3460263 0.75 PTK2 (0.54) LRRK2ADKNPC1RAB9APTK2
SCHEMBL30734178 0.75 MAP4K4 (0.49) MKNK1MKNK2MAP4K4LMNATP53
SCHEMBL3460747 0.74 PIK3CA (0.60) MAP4K4TP53
SCHEMBL31113896 0.74 PDE4A (0.50) MKNK1MKNK2LRRK2STK4STK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US claimed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US claimed
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
EP-1899332-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2008-03-19 EP disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 WO disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO MKNK1 3850/4885MKNK2 3478/4885LRRK2 3423/4885

“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.