SCHEMBL5774974

SCHEMBL5774974

COc1cc(F)c(C#N)c(OC2CCOC2)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.44
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
PDE4D Q08499 12/20 0.38
PDE4B Q07343 8/20 0.38
PDE4A P27815 7/20 0.38
PDE4C Q08493 7/20 0.38
CHEK1 O14757 1/20 0.38
TBK1 Q9UHD2 1/20 0.35

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
SCHEMBL5776479 0.83 PDE4B (0.35) PDE4DPDE4BPDE4APDE4C
SCHEMBL17844396 0.74 GPR6 (0.40) EGFR
SCHEMBL5778854 0.74 CSF1R (0.33)
SCHEMBL16935388 0.74 PDE9A (0.38) TBK1
SCHEMBL18305797 0.73 TRPV4 (0.34)
SCHEMBL186585 0.71 TRPV4 (0.52)
SCHEMBL7360862 0.70 PDE4D (0.54) PDE4DPDE4BPDE4APDE4CCHEK1
SCHEMBL17837908 0.70 GPR119 (0.53) PDE4DPDE4BPDE4APDE4C
SCHEMBL28550646 0.69 PDE4D (0.37) EGFRMAPK8MAPK9PDE4DPDE4B
SCHEMBL25987088 0.69 PDE4D (0.37) EGFRMAPK8MAPK9PDE4DPDE4B

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
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
EP-1483257-A1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2004-12-08 EP disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 US disclosed
WO-2003076427-A1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2003-09-18 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 (1 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 EGFR 4187/4885MAPK8 2862/4885MAPK9 3144/4885

“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.