SCHEMBL3571018

SCHEMBL3571018

CCN(CC)CCCOc1ccc2c(C3CCNCC3)ncnc2c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.48
AURKB Q96GD4 4/20 0.48
KDM4E B2RXH2 1/20 0.43
SIGMAR1 Q99720 2/20 0.41
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
ACHE P22303 4/20 0.40
XDH P47989 2/20 0.40
EGFR P00533 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL3571722 0.95 AURKA (0.43) AURKAAURKBSIGMAR1
SCHEMBL3565203 0.84 MAPK7 (0.41) EGFRBRAFKDR
SCHEMBL3568321 0.83 CHEK1 (0.40) AURKAAURKBKDR
SCHEMBL3568546 0.83 MAPK7 (0.40) AURKAAURKB
SCHEMBL4965944 0.82 AURKA (0.50) AURKAAURKBACHE
SCHEMBL3571190 0.81 CHEK1 (0.47) AURKAAURKB
SCHEMBL3571883 0.79 AURKA (0.49) AURKAAURKBSIGMAR1XDH
SCHEMBL3570195 0.79 MAPK7 (0.53) KDM4EEGFR
SCHEMBL3567462 0.79 TLR9 (0.51) AURKAAURKB
SCHEMBL3570576 0.78 AURKA (0.44) AURKAAURKBKDM4ESIGMAR1

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 AURKA 135/4885AURKB 113/4885KDM4E 907/4885

“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.