SCHEMBL11330849

SCHEMBL11330849

COc1cc(N2CCNCC2)ccc1Nc1cc(Cc2ccccc2Cl)nc2cc[nH]c(=O)c12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 13/20 0.52
JAK2 O60674 2/20 0.47
EGFR P00533 2/20 0.46
IGF1R P08069 1/20 0.44
KCNH2 Q12809 1/20 0.44
DCLK1 O15075 1/20 0.43
MAPK7 Q13164 1/20 0.43
LRRK2 Q5S007 1/20 0.43
FLT4 P35916 1/20 0.42
PTK2 Q05397 1/20 0.42

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
SCHEMBL11326712 0.91 ALK (0.51) ALKJAK2EGFRIGF1RKCNH2
SCHEMBL11320105 0.83 JAK2 (0.48) ALKJAK2EGFRPTK2
SCHEMBL11303155 0.81 ALK (0.53) ALKEGFRIGF1RKCNH2
SCHEMBL11302133 0.80 ALK (0.51) ALKJAK2EGFRIGF1RKCNH2
SCHEMBL15795213 0.79 ALK (0.55) ALKEGFR
SCHEMBL11298782 0.78 ALK (0.52) ALKEGFRIGF1RKCNH2
SCHEMBL15794995 0.78 ALK (0.52) ALKJAK2EGFR
SCHEMBL11332820 0.78 ALK (0.56) ALKJAK2LRRK2
SCHEMBL11318522 0.77 ZAP70 (0.45) ALKJAK2
SCHEMBL11291476 0.76 JAK2 (0.54) ALKJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140171429-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-19 US claimed
US-20140171429-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-19 US disclosed
EP-2665725-A1 BICYCLIC INHIBITORS OF ALK AbbVie Inc. (US) 2013-11-27 EP disclosed
WO-2012097683-A1 BICYCLIC INHIBITORS OF ALK ABBOTT LABORATORIES (US) 2012-07-26 WO 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-20140171429-A1 BICYCLIC INHIBITORS OF ALK ALK, ACVR1, ACVR1B ALK 1/4885JAK2 104/4885EGFR 34/4885

“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.