SCHEMBL3565377

SCHEMBL3565377

c1nc(C2CCNCC2)c2ccc(OC3CCOC3)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.42
ROCK1 Q13464 2/20 0.39
KDR P35968 3/20 0.38
ERBB2 P04626 1/20 0.38
EPHA2 P29317 1/20 0.38
EPHB4 P54760 1/20 0.38
EGFR P00533 5/20 0.37
MAPK7 Q13164 2/20 0.36
ALK Q9UM73 1/20 0.36
SOS1 Q07889 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKACA P17612 1/20 0.35
PRKCD Q05655 1/20 0.35
PRKG1 Q13976 1/20 0.35
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
CDC42BPA Q5VT25 1/20 0.35
Q6ZSR9 Q6ZSR9 1/20 0.35
BMP2K Q9NSY1 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
SCHEMBL3573033 1.00 LRRK2 (0.42) LRRK2ROCK1KDRERBB2EPHA2
SCHEMBL3565373 1.00 LRRK2 (0.42) LRRK2ROCK1KDRERBB2EPHA2
SCHEMBL3568089 0.93 ROCK1 (0.43) LRRK2ROCK1EGFRMAPK7ROCK2
SCHEMBL5604013 0.81 MAPK7 (0.49) LRRK2ERBB2EGFRMAPK7
SCHEMBL4963853 0.81 MAPK7 (0.49) LRRK2ERBB2EGFRMAPK7
SCHEMBL5072877 0.81 MAPK7 (0.49) LRRK2ERBB2EGFRMAPK7
SCHEMBL4964289 0.80 LRRK2 (0.37) LRRK2KDREGFR
SCHEMBL3566315 0.80 MAOA (0.45) ROCK1MAPK7PDE10A
SCHEMBL3575984 0.80 SLC6A2 (0.43) KDRMAPK7
SCHEMBL30151489 0.79 LRRK2 (0.44) LRRK2ROCK1KDRERBB2EPHA2

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 LRRK2 665/4885ROCK1 240/4885KDR 18/4885

“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.