SCHEMBL6990530

SCHEMBL6990530

Nc1cc(O)c(O[C@H]2CCOC2)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
PDE4D Q08499 16/20 0.40
PDE4A P27815 9/20 0.40
PDE4B Q07343 9/20 0.40
PDE4C Q08493 9/20 0.40
SYK P43405 1/20 0.36
KRAS P01116 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
SOS1 Q07889 1/20 0.36
KAT2B Q92831 1/20 0.36
BAZ2B Q9UIF8 1/20 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
SCHEMBL7221383 1.00 MAPK8 (0.41) MAPK8MAPK9PDE4DPDE4APDE4B
SCHEMBL28779932 0.86 MAPK8 (0.40) MAPK8MAPK9PDE4DPDE4APDE4B
SCHEMBL28779927 0.86 MAPK8 (0.40) MAPK8MAPK9PDE4DPDE4APDE4B
SCHEMBL28868070 0.85 PDE4D (0.51) MAPK8MAPK9PDE4DPDE4APDE4B
SCHEMBL28868065 0.85 PDE4D (0.51) MAPK8MAPK9PDE4DPDE4APDE4B
SCHEMBL4225630 0.82 PDE4A (0.40) PDE4DPDE4APDE4BPDE4C
SCHEMBL7226064 0.81 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CSYK
SCHEMBL6989382 0.81 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CSYK
SCHEMBL1672509 0.77 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CSYK
SCHEMBL24735855 0.76 KDM4E (0.61) MAPK8MAPK9PDE4DPDE4APDE4B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6656946-B2 For treating diseases, particularly tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed
EP-1315705-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM ZENTRALE GMBH (DE) 2003-06-04 EP disclosed
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-27 US disclosed
WO-2002018351-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 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-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 MAPK8 95/4885MAPK9 64/4885PDE4D 3178/4885

“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.