SCHEMBL4100800

SCHEMBL4100800

COc1cc(-c2ccc3nc(N)nc(N4CCNCC4C(=O)Nc4ccc(F)cc4)c3n2)ccc1OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
MKNK2 Q9HBH9 5/20 0.39
MKNK1 Q9BUB5 4/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
PIM1 P11309 1/20 0.39
BRAF P15056 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
ALK Q9UM73 1/20 0.36
POLB P06746 1/20 0.35
SYK P43405 2/20 0.34
FLT3 P36888 1/20 0.34
AURKB Q96GD4 1/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL4101186 0.90 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMKNK2
SCHEMBL4102180 0.84 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DMKNK2
SCHEMBL4103130 0.84 MKNK2 (0.48) PDE4APDE4BPDE4CPDE4DMKNK2
SCHEMBL4521469 0.83 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL4106519 0.80 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DFLT3
SCHEMBL4108685 0.80 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL4113839 0.80 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DBRAF
SCHEMBL4102431 0.80 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL4118624 0.79 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DMKNK2
SCHEMBL4107810 0.77 POLB (0.39) PDE4APDE4BPDE4CPDE4DMKNK2

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 PDE4A 1370/4885PDE4B 1438/4885PDE4C 1064/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PDE4A 112/4885PDE4B 313/4885PDE4C 158/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PDE4A 112/4885PDE4B 313/4885PDE4C 158/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PDE4A 112/4885PDE4B 313/4885PDE4C 158/4885

“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.