SCHEMBL4584589

SCHEMBL4584589

CCOc1nc(NCC2CC2)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 7/20 0.45
MAP4K4 O95819 3/20 0.44
PDE5A O76074 6/20 0.43
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
TRIM58 Q8NG06 1/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
FGFR1 P11362 1/20 0.38
MAPK1 P28482 1/20 0.38
FLT4 P35916 1/20 0.38
FRK P42685 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL4573278 0.87 MAP4K4 (0.42) MAP4K4MAPK1CLK4ALDH1A1CYP3A4
SCHEMBL4573181 0.84 MERTK (0.37) MAP4K4MAPK14
SCHEMBL5123850 0.84 MAPT (0.43) MAPK14MAPK8KDM4EALDH1A1HPGD
SCHEMBL5112172 0.83 MAPT (0.35) MAP4K4PDE5AMAPK13PRKD3FGFR1
SCHEMBL5115353 0.82 MAP4K4 (0.40) MAP4K4MAPK14MAPK8
SCHEMBL5123059 0.82 KCNH3 (0.46) MAP4K4PDE5AMAPK13MAPK12MAPK11
SCHEMBL4573442 0.82 TP53 (0.47) PDE5AMAPK14MAPK1KDM4EALDH1A1
SCHEMBL4573310 0.81 MAP4K4 (0.36) MAP4K4PDE5AMAPK14
SCHEMBL5116366 0.81 MAP4K4 (0.36) MAP4K4MAPK14MAPK8
SCHEMBL5121955 0.80 MAPT (0.38) MAP4K4MAPK14MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO disclosed
WO-2008077651-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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP VCP 4525/4885MAP4K4 1899/4885PDE5A 1222/4885

“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.