SCHEMBL4108441

SCHEMBL4108441

CCOc1ccc(-c2ccc3ncnc(N4CCNCC4C(=O)Nc4cccc(Cl)c4)c3n2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.43
DHODH Q02127 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MKNK2 Q9HBH9 6/20 0.39
MKNK1 Q9BUB5 3/20 0.39
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
EPHA2 P29317 1/20 0.36
EGFR P00533 2/20 0.36
PDPK1 O15530 1/20 0.36
KDR P35968 1/20 0.36
FYN P06241 1/20 0.35
AURKA O14965 1/20 0.35

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
SCHEMBL4116373 0.95 PDGFRB (0.45) PDGFRBDHODHPDE4APDE4BPDE4C
SCHEMBL4118121 0.92 PDGFRB (0.43) PDGFRBDHODHPDE4APDE4BPDE4C
SCHEMBL4106999 0.92 MALT1 (0.43) PDGFRBDHODHPDE4APDE4BPDE4C
SCHEMBL4116467 0.91 PDGFRB (0.42) PDGFRBDHODHPDE4APDE4BPDE4C
SCHEMBL3921197 0.87 DYRK1A (0.38) MKNK2MKNK1MAPTMALT1EGFR
SCHEMBL4101305 0.86 MKNK2 (0.47) PDGFRBPDE4APDE4BPDE4CPDE4D
SCHEMBL3931542 0.85 MKNK2 (0.39) MKNK2MKNK1MAPTEGFR
SCHEMBL4102649 0.84 PDE4A (0.47) PDGFRBPDE4APDE4BPDE4CPDE4D
SCHEMBL3931685 0.84 PDE4A (0.43) DHODHPDE4APDE4BPDE4CPDE4D
SCHEMBL4103130 0.83 MKNK2 (0.48) PDGFRBDHODHPDE4APDE4BPDE4C

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 5 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 disclosed
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 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-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 US 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 (4 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 PDGFRB 506/4885DHODH 60/4885PDE4A 1370/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PDGFRB 199/4885DHODH 66/4885PDE4A 112/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PDGFRB 199/4885DHODH 66/4885PDE4A 112/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PDGFRB 199/4885DHODH 66/4885PDE4A 112/4885

“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.