SCHEMBL13034744

SCHEMBL13034744

CC(=O)N1CCC(COc2ccc3c(C4CCNCC4)ccnc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 1/20 0.48
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
F10 P00742 2/20 0.45
CHEK2 O96017 1/20 0.45
IRAK4 Q9NWZ3 2/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
CYP8B1 Q9UNU6 1/20 0.40
KDR P35968 2/20 0.39
GRM4 Q14833 2/20 0.39
ALK Q9UM73 1/20 0.39
IDO1 P14902 1/20 0.39
PARP14 Q460N5 1/20 0.39
KHK P50053 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR3A P46098 1/20 0.38

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
SCHEMBL3563000 0.85 MAPK7 (0.48) MAPK7CYP4F2CYP4A11F10CHEK2
SCHEMBL12049878 0.80 IDO1 (0.43) MAPK7KDRIDO1
SCHEMBL13034751 0.74 TGFBR1 (0.45) MAPK7GRM4
SCHEMBL5605022 0.74 MAPK7 (0.51) MAPK7CYP4F2CYP4A11F10CHEK2
SCHEMBL13034748 0.73 MET (0.47) KCNH2
SCHEMBL27006968 0.72 SMYD3 (0.44) CYP4F2CYP4A11F10CYP8B1KDR
SCHEMBL18640024 0.72 CYP4F2 (0.53) CYP4F2CYP4A11F10CHEK2IRAK4
SCHEMBL13034746 0.71 POLB (0.44) MAPK7
SCHEMBL13034745 0.71 MCHR1 (0.42) MAPK7KCNH2
SCHEMBL3563853 0.71 KDR (0.50) KDR

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 2 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-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 MAPK7 169/4885CYP4F2 3059/4885CYP4A11 2079/4885

“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.