SCHEMBL3566779

SCHEMBL3566779

CN(C)C1CCN(c2ccc3c(C4CCNCC4)ncnc3c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 2/20 0.47
NTRK1 P04629 2/20 0.47
MAPK7 Q13164 1/20 0.44
MAP4K4 O95819 1/20 0.42
KDR P35968 2/20 0.41
INSR P06213 1/20 0.41
AXL P30530 1/20 0.41
HTR2B P41595 2/20 0.40
HTR6 P50406 2/20 0.40
NTSR1 P30989 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
MERTK Q12866 1/20 0.38
PRKDC P78527 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KIT P10721 1/20 0.37
EGLN2 Q96KS0 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 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
SCHEMBL3566776 1.00 FGFR2 (0.47) FGFR2NTRK1MAPK7MAP4K4KDR
SCHEMBL4963325 0.84 MAPK7 (0.53) FGFR2NTRK1MAPK7MAP4K4KDR
SCHEMBL4963318 0.84 MAPK7 (0.53) FGFR2NTRK1MAPK7MAP4K4KDR
SCHEMBL3570227 0.84 AR (0.39) MAPK7AXLNTSR1MERTKPRKDC
SCHEMBL3570233 0.84 AR (0.39) MAPK7AXLNTSR1MERTKPRKDC
SCHEMBL5604298 0.83 PRKDC (0.42) HTR6HRH4PRKDCKIT
SCHEMBL5604831 0.82 PRKDC (0.50) MAP4K4PRKDC
SCHEMBL5604488 0.82 PRKDC (0.47) MAP4K4PRKDC
SCHEMBL3572685 0.81 MEN1 (0.46) FGFR2NTRK1MAPK7HRH4PRKDC
SCHEMBL3562397 0.79 PRKDC (0.56) PRKDC

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 FGFR2 711/4885NTRK1 7/4885MAPK7 169/4885

“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.