SCHEMBL3562072

SCHEMBL3562072

CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(OC4CCN(S(C)(=O)=O)C4)ccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.47
MAPK7 Q13164 5/20 0.47
PIK3CD O00329 2/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL3562066 1.00 GPR119 (0.47) GPR119MAPK7PIK3CDPIK3CAPIK3CB
SCHEMBL3572784 0.95 GPR119 (0.53) GPR119MAPK7PIK3CDPIK3CAPIK3CB
SCHEMBL5603654 0.89 MAPK7 (0.48) MAPK7
SCHEMBL5074817 0.89 MAPK7 (0.48) MAPK7
SCHEMBL3569114 0.88 MAPK7 (0.49) GPR119MAPK7PIK3CDPIK3CAPIK3CB
SCHEMBL3569118 0.88 MAPK7 (0.49) GPR119MAPK7PIK3CDPIK3CAPIK3CB
SCHEMBL13073447 0.88 MAPK7 (0.44) MAPK7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3572538 0.85 MAPK7 (0.50) GPR119MAPK7PIK3CDPIK3CAPIK3CB
SCHEMBL3562833 0.84 MAPK7 (0.51) GPR119MAPK7PIK3CDPIK3CAPIK3CB
SCHEMBL4965016 0.83 MAPK7 (0.49) GPR119MAPK7

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-7825244-B2 Intermediates useful in the synthesis of alkylquinoline and alkylquinazoline kinase modulators, and related methods of synthesis JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US disclosed
EP-1891040-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS AND RELATED METHODS OF SYNTHESIS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-27 EP disclosed
US-20070021436-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS, AND RELATED METHODS OF SYNTHESIS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-25 US disclosed
WO-2006135646-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS AND RELATED METHODS OF SYNTHESIS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 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-20070021436-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS, AND RELATED METHODS OF SYNTHESIS FLT3, ABL1, KIT GPR119 986/4885MAPK7 169/4885PIK3CD 365/4885

“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.