SCHEMBL4552273

SCHEMBL4552273

CCCCCc1ccc2nc(NC(C)=O)nc(N3CCNCC3C(=O)Nc3cccc(Cl)c3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.35
EPHX1 P07099 3/20 0.35
EPHX2 P34913 3/20 0.33
LMNA P02545 1/20 0.33
EGFR P00533 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MALT1 Q9UDY8 1/20 0.33

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
SCHEMBL4281171 0.91 CFTR (0.36) CFTREPHX1EPHX2LMNAEGFR
SCHEMBL4423638 0.88 EGFR (0.39) CFTREPHX1LMNAEGFR
SCHEMBL4419561 0.82 PI4KB (0.38) MAPT
SCHEMBL4417863 0.80 LIMK2 (0.41) CFTREGFRMAPT
SCHEMBL27739747 0.78 EPHX1 (0.39) CFTREPHX1EPHX2LMNA
SCHEMBL27760207 0.78 CFTR (0.41) CFTREPHX1EPHX2LMNAMALT1
SCHEMBL4113936 0.77 TSHR (0.42) MAPT
SCHEMBL4423051 0.77 CFTR (0.39) CFTREPHX1LMNAEGFRMALT1
SCHEMBL4551297 0.76 FLT3 (0.37)
SCHEMBL4107738 0.73 LMNA (0.42) LMNAEGFRTP53MAPTMALT1

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 CFTR 2302/4885EPHX1 781/4885EPHX2 529/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP CFTR 2561/4885EPHX1 254/4885EPHX2 208/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP CFTR 2561/4885EPHX1 254/4885EPHX2 208/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP CFTR 2561/4885EPHX1 254/4885EPHX2 208/4885

“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.