SCHEMBL4969415

SCHEMBL4969415

CN1CCC[C@H]1COc1ccc2c(C3CCN(C(=O)O)CC3)ncnc2c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 6/20 0.49
CHRNB4 P30926 3/20 0.47
CHRNA3 P32297 3/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 1/20 0.47
CHRNB1 P11230 1/20 0.45
CHRNB3 Q05901 1/20 0.45

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
SCHEMBL4969423 1.00 MAPK7 (0.49) MAPK7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5604309 0.89 MAPK7 (0.48) MAPK7
SCHEMBL5604303 0.89 MAPK7 (0.48) MAPK7
SCHEMBL4964909 0.85 KDR (0.54) MAPK7
SCHEMBL3569635 0.84 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL3569630 0.84 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL12049308 0.83 PDGFRB (0.46) MAPK7CHRNB2CHRNA4
SCHEMBL5605022 0.83 MAPK7 (0.51) MAPK7
SCHEMBL4965317 0.83 MAPK7 (0.45) MAPK7
SCHEMBL5604728 0.83 MAPK7 (0.45) MAPK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071768-B2 Alkylquinoline and alkylquinazoline kinase modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2011-12-06 US disclosed
CN-101242845-A Synergistic modulation of FLT3 kinase using a farnesyl transferase inhibitor JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 CN disclosed
EP-1893598-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
WO-2006135721-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
US-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 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 (2 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-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS FLT3, KIT, NTRK2 MAPK7 489/4885CHRNB4 725/4885CHRNA3 459/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG MAPK7 957/4885CHRNB4 3641/4885CHRNA3 2971/4885

“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.