SCHEMBL3571190

SCHEMBL3571190

CCN1CCN(CCCOc2ccc3c(C4CCNCC4)ncnc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.47
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
AURKA O14965 9/20 0.43
AURKB Q96GD4 9/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
HRH3 Q9Y5N1 5/20 0.42
HRH1 P35367 2/20 0.40
SLC2A1 P11166 1/20 0.40
SLC6A4 P31645 1/20 0.39
HRH2 P25021 1/20 0.39

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
SCHEMBL3571883 0.93 AURKA (0.49) CHEK1RAB9AAURKAAURKBTLR9
SCHEMBL3567462 0.91 TLR9 (0.51) CHEK1AURKAAURKBTLR9TLR7
SCHEMBL3568697 0.90 AURKA (0.51) CHEK1AURKAAURKBTLR9TLR7
SCHEMBL3564511 0.90 HRH3 (0.52) CHEK1AURKAAURKBTLR9TLR7
SCHEMBL3561359 0.89 AURKA (0.49) CHEK1AURKAAURKBTLR9TLR7
SCHEMBL3563690 0.88 CHEK1 (0.59) CHEK1MAPK1AURKAAURKBTLR9
SCHEMBL3570576 0.88 AURKA (0.44) CHEK1AURKAAURKBHRH3HRH1
SCHEMBL3567104 0.88 CHEK1 (0.46) CHEK1AURKAAURKBTLR9TLR7
SCHEMBL3566263 0.88 AURKA (0.46) CHEK1AURKAAURKBHRH3SLC6A4
SCHEMBL3577463 0.85 AURKA (0.44) CHEK1AURKAAURKB

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 9 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-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-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
CN-101243065-A Intermediates for the synthesis of alkylquinoline and alkylquinazoline kinase modulators and related synthetic methods JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 CN 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
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
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 CHEK1 419/4885MAPK1 110/4885RAB9A 1973/4885

“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.