SCHEMBL3567462

SCHEMBL3567462

c1nc(C2CCNCC2)c2ccc(OCCCN3CCCC3)cc2n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.51
TLR7 Q9NYK1 2/20 0.51
HRH3 Q9Y5N1 11/20 0.50
HRH1 P35367 1/20 0.50
AURKA O14965 5/20 0.49
AURKB Q96GD4 5/20 0.49
CHEK1 O14757 1/20 0.49
KCNH2 Q12809 1/20 0.46
HTR1A P08908 2/20 0.44
DRD2 P14416 2/20 0.44
HTR2A P28223 2/20 0.44

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
SCHEMBL3564511 0.99 HRH3 (0.52) TLR9TLR7HRH3HRH1AURKA
SCHEMBL3564760 0.94 HRH3 (0.51) TLR9TLR7HRH3HRH1AURKA
SCHEMBL3561359 0.92 AURKA (0.49) TLR9TLR7HRH3HRH1AURKA
SCHEMBL3571883 0.92 AURKA (0.49) TLR9TLR7HRH3HRH1AURKA
SCHEMBL3568697 0.91 AURKA (0.51) TLR9TLR7HRH3HRH1AURKA
SCHEMBL3571190 0.91 CHEK1 (0.47) TLR9TLR7HRH3HRH1AURKA
SCHEMBL3563690 0.91 CHEK1 (0.59) TLR9TLR7HRH3HRH1AURKA
SCHEMBL3566263 0.86 AURKA (0.46) HRH3AURKAAURKBCHEK1
SCHEMBL3567104 0.86 CHEK1 (0.46) TLR9TLR7HRH3HRH1AURKA
SCHEMBL3570576 0.86 AURKA (0.44) HRH3HRH1AURKAAURKBCHEK1

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-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
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

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 TLR9 1998/4885TLR7 837/4885HRH3 534/4885

“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.