SCHEMBL4101305

SCHEMBL4101305

COc1ccc(-c2ccc3ncnc(N4CCNCC4C(=O)Nc4ccc(F)c(Cl)c4)c3n2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 3/20 0.47
MKNK1 Q9BUB5 2/20 0.47
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
MALT1 Q9UDY8 1/20 0.41
KDR P35968 2/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.39
UBE2N P61088 1/20 0.39
KMT2A Q03164 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
EGFR P00533 4/20 0.39
TP53 P04637 1/20 0.38
ALK Q9UM73 1/20 0.38
PDGFRB P09619 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38

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
SCHEMBL4103130 0.91 MKNK2 (0.48) MKNK2MKNK1PDE4APDE4BPDE4C
SCHEMBL4116373 0.90 PDGFRB (0.45) MKNK2MKNK1PDE4APDE4BPDE4C
SCHEMBL4102649 0.87 PDE4A (0.47) MKNK2MKNK1PDE4APDE4BPDE4C
SCHEMBL4106999 0.87 MALT1 (0.43) MKNK2MKNK1PDE4APDE4BPDE4C
SCHEMBL4108441 0.86 PDGFRB (0.43) MKNK2MKNK1PDE4APDE4BPDE4C
SCHEMBL4118121 0.85 PDGFRB (0.43) MKNK2MKNK1PDE4APDE4BPDE4C
SCHEMBL4116467 0.85 PDGFRB (0.42) MKNK2MKNK1PDE4APDE4BPDE4C
SCHEMBL4108733 0.80 MKNK2 (0.42) MKNK2MKNK1MAPTEGFR
SCHEMBL3921197 0.80 DYRK1A (0.38) MKNK2MKNK1MALT1MAPTEGFR
SCHEMBL3931542 0.80 MKNK2 (0.39) MKNK2MKNK1MAPTBRAFEGFR

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 MKNK2 3478/4885MKNK1 3850/4885PDE4A 1370/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP MKNK2 3818/4885MKNK1 3387/4885PDE4A 112/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP MKNK2 3818/4885MKNK1 3387/4885PDE4A 112/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP MKNK2 3818/4885MKNK1 3387/4885PDE4A 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.