SCHEMBL4114077

SCHEMBL4114077

O=C(Nc1cccc(Cl)c1)C1CNCCN1c1ncnc2cc(Cl)cnc12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
PAK1 Q13153 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
PDGFRB P09619 1/20 0.40
EGFR P00533 3/20 0.40
LIMK2 P53671 1/20 0.39
BTK Q06187 1/20 0.39

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
SCHEMBL4119568 0.89 LMNA (0.41) LMNAPAK1SMN1; SMN2MALT1PDGFRB
SCHEMBL3924668 0.87 AURKB (0.40) LMNAPAK1SMN1; SMN2MALT1EGFR
SCHEMBL4114019 0.87 LIMK2 (0.39) LMNAPAK1SMN1; SMN2MALT1PDGFRB
SCHEMBL4107738 0.87 LMNA (0.42) LMNAPAK1SMN1; SMN2MALT1PDGFRB
SCHEMBL4423051 0.86 CFTR (0.39) LMNAPAK1SMN1; SMN2MALT1PDGFRB
SCHEMBL4108444 0.85 MAPT (0.42) LMNASMN1; SMN2MALT1EGFR
SCHEMBL4106746 0.85 AURKB (0.39) LMNASMN1; SMN2MALT1PDGFRBEGFR
SCHEMBL4113609 0.85 MALT1 (0.45) MALT1PDGFRB
SCHEMBL3924812 0.83 MAPT (0.38) LMNASMN1; SMN2MALT1PDGFRBEGFR
SCHEMBL4114340 0.82 AURKA (0.42) LMNASMN1; SMN2MALT1PDGFRBEGFR

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 7 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
EP-1831217-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2007-09-12 EP disclosed
WO-2006069805-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2006-07-06 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 (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 LMNA 2064/4885PAK1 1969/4885SMN1; SMN2 2873/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP LMNA 567/4885PAK1 2154/4885SMN1; SMN2 709/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP LMNA 567/4885PAK1 2154/4885SMN1; SMN2 709/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP LMNA 567/4885PAK1 2154/4885SMN1; 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.