SCHEMBL3565203

SCHEMBL3565203

COCCCOc1ccc2c(C3CCNCC3)ncnc2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 7/20 0.41
BRAF P15056 2/20 0.39
TNNI3K Q59H18 2/20 0.39
KDR P35968 2/20 0.39
EGFR P00533 2/20 0.39
ILK Q13418 2/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
CHEK1 O14757 3/20 0.38
CHEK2 O96017 2/20 0.38
GRM4 Q14833 1/20 0.37
FGFR2 P21802 1/20 0.37
PDGFRB P09619 1/20 0.36
KIT P10721 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
SCHEMBL3568321 0.87 CHEK1 (0.40) MAPK7KDRFGFR1FLT1CHEK1
SCHEMBL3568546 0.87 MAPK7 (0.40) MAPK7CHEK1
SCHEMBL3570195 0.85 MAPK7 (0.53) MAPK7EGFR
SCHEMBL3571018 0.84 AURKA (0.48) BRAFKDREGFR
SCHEMBL3571722 0.83 AURKA (0.43) CHEK1
SCHEMBL3571883 0.83 AURKA (0.49) CHEK1
SCHEMBL3567462 0.82 TLR9 (0.51) CHEK1
SCHEMBL3571190 0.82 CHEK1 (0.47) CHEK1
SCHEMBL3564511 0.81 HRH3 (0.52) CHEK1
SCHEMBL3570576 0.81 AURKA (0.44) MAPK7CHEK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071768-B2 Alkylquinoline and alkylquinazoline kinase modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2011-12-06 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-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
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
US-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 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 (2 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 MAPK7 169/4885BRAF 5/4885TNNI3K 78/4885
US-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS FLT3, KIT, NTRK2 MAPK7 489/4885BRAF 12/4885TNNI3K 114/4885

“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.