SCHEMBL4423638

SCHEMBL4423638

CCCCCc1ccc2ncnc(N3CCNCC3C(=O)Nc3cccc(Cl)c3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.39
PDGFRB P09619 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LIMK2 P53671 1/20 0.37
LMNA P02545 1/20 0.37
CFTR P13569 1/20 0.36
EPHX1 P07099 3/20 0.36

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
SCHEMBL4417863 0.92 LIMK2 (0.41) EGFRLIMK2CFTR
SCHEMBL4281171 0.89 CFTR (0.36) EGFRLMNACFTREPHX1
SCHEMBL4552273 0.88 CFTR (0.35) EGFRLMNACFTREPHX1
SCHEMBL4423051 0.87 CFTR (0.39) EGFRPDGFRBSMN1; SMN2LIMK2LMNA
SCHEMBL4107738 0.86 LMNA (0.42) EGFRPDGFRBSMN1; SMN2LIMK2LMNA
SCHEMBL4419561 0.81 PI4KB (0.38) LIMK2
SCHEMBL27760207 0.80 CFTR (0.41) LMNACFTREPHX1
SCHEMBL4114077 0.80 LMNA (0.43) EGFRPDGFRBSMN1; SMN2LIMK2LMNA
SCHEMBL4108107 0.80 LIMK2 (0.42) EGFRLIMK2
SCHEMBL27739747 0.79 EPHX1 (0.39) LMNACFTREPHX1

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 EGFR 3525/4885PDGFRB 506/4885SMN1; SMN2 2873/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP EGFR 3724/4885PDGFRB 199/4885SMN1; SMN2 709/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP EGFR 3724/4885PDGFRB 199/4885SMN1; SMN2 709/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP EGFR 3724/4885PDGFRB 199/4885SMN1; SMN2 709/4885

“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.