SCHEMBL13073447

SCHEMBL13073447

C=C(C)OC(=O)N1CCC(c2ncnc3cc(O[C@@H]4CCN(S(C)(=O)=O)C4)ccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 16/20 0.44
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
EGFR P00533 1/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 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
SCHEMBL5603654 0.88 MAPK7 (0.48) MAPK7PDE4APDE4BPDE4CPDE4D
SCHEMBL5074817 0.88 MAPK7 (0.48) MAPK7PDE4APDE4BPDE4CPDE4D
SCHEMBL3562066 0.88 GPR119 (0.47) MAPK7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3562072 0.88 GPR119 (0.47) MAPK7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4965016 0.83 MAPK7 (0.49) MAPK7
SCHEMBL3572784 0.82 GPR119 (0.53) MAPK7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12049377 0.79 CSF1R (0.41) MAPK7
SCHEMBL12060394 0.79 MAPK7 (0.49) MAPK7
SCHEMBL5604047 0.77 MAPK7 (0.51) MAPK7EGFRPIK3CDPIK3CAPIK3CB
SCHEMBL5604053 0.77 MAPK7 (0.51) MAPK7EGFRPIK3CDPIK3CAPIK3CB

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 2 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
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

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 MAPK7 169/4885PDE4A 3498/4885PDE4B 2711/4885

“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.