SCHEMBL3568321

SCHEMBL3568321

NCCCOc1ccc2c(C3CCNCC3)ncnc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
MAPK7 Q13164 6/20 0.38
ROCK1 Q13464 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
KIT P10721 1/20 0.33
PRMT5 O14744 1/20 0.33
CAMKK1 Q8N5S9 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL3568546 0.88 MAPK7 (0.40) CHEK1MAPK7TLR9TLR7CAMKK1
SCHEMBL3565203 0.87 MAPK7 (0.41) CHEK1MAPK7KITFGFR1FLT1
SCHEMBL3568314 0.84 IRAK4 (0.42) CHEK1MAPK7CAMKK1CAMKK2AURKA
SCHEMBL3567462 0.83 TLR9 (0.51) CHEK1TLR9TLR7KCNH2AURKA
SCHEMBL3571018 0.83 AURKA (0.48) KDRAURKAAURKB
SCHEMBL3564511 0.82 HRH3 (0.52) CHEK1TLR9TLR7KCNH2AURKA
SCHEMBL3571722 0.82 AURKA (0.43) CHEK1AURKAAURKB
SCHEMBL3571883 0.82 AURKA (0.49) CHEK1TLR9TLR7KCNH2AURKA
SCHEMBL4964123 0.82 MAP2K1 (0.39)
SCHEMBL3570195 0.81 MAPK7 (0.53) MAPK7

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 CHEK1 419/4885MAPK7 169/4885ROCK1 240/4885

“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.