SCHEMBL4524902

SCHEMBL4524902

COc1ccc(-c2ccc3nc(NC(C)=O)nc(N4CCNCC4C(=O)Nc4cccc(C)c4)c3n2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 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
PDPK1 O15530 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DHODH Q02127 1/20 0.37
ADORA3 P0DMS8 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
KIT P10721 1/20 0.35
BRAF P15056 1/20 0.35
PTGS2 P35354 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL4112903 0.96 FYN (0.40) FYNPDE4APDE4BPDE4CPDE4D
SCHEMBL4106830 0.92 PDPK1 (0.42) FYNPDE4APDE4BPDE4CPDE4D
SCHEMBL4113136 0.92 PDPK1 (0.42) FYNPDE4APDE4BPDE4CPDE4D
SCHEMBL4121596 0.91 PDE4A (0.41) FYNPDE4APDE4BPDE4CPDE4D
SCHEMBL4521469 0.90 PDE4A (0.51) FYNPDE4APDE4BPDE4CPDE4D
SCHEMBL3922549 0.90 PDE4A (0.44) FYNPDE4APDE4BPDE4CPDE4D
SCHEMBL4102431 0.86 PDE4A (0.49) FYNPDE4APDE4BPDE4CPDE4D
SCHEMBL3920443 0.86 DHODH (0.38) FYNPDE4APDE4BPDE4CPDE4D
SCHEMBL4113839 0.85 PDE4A (0.45) FYNPDE4APDE4BPDE4CPDE4D
SCHEMBL3918625 0.81 PDE4A (0.45) FYNPDE4APDE4BPDE4CPDE4D

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 4 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 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 (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 FYN 2650/4885PDE4A 1370/4885PDE4B 1438/4885

“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.