SCHEMBL11320105

SCHEMBL11320105

COc1cc(N2CCN(C)CC2)ccc1Nc1cc(Cc2c(Cl)cccc2Cl)nc2cc[nH]c(=O)c12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.48
TNK2 Q07912 3/20 0.48
SRC P12931 1/20 0.48
ALK Q9UM73 1/20 0.48
PTK2 Q05397 3/20 0.48
CCNT1 O60563 1/20 0.47
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
CDK9 P50750 1/20 0.47
CDK6 Q00534 1/20 0.47
CDK11A Q9UQ88 1/20 0.47
EGFR P00533 11/20 0.46
NUAK1 O60285 1/20 0.44
NUAK2 Q9H093 1/20 0.44

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 0.92 ALK (0.51) JAK2ALKEGFR
SCHEMBL15794995 0.88 ALK (0.52) JAK2ALKEGFR
SCHEMBL11296289 0.87 ALK (0.50) JAK2TNK2SRCALKPTK2
SCHEMBL15794966 0.86 ALK (0.56) JAK2ALKNUAK1
SCHEMBL11330849 0.83 ALK (0.52) JAK2ALKPTK2EGFR
SCHEMBL11406921 0.83 ALK (0.57) JAK2ALKEGFR
SCHEMBL11297437 0.83 ALK (0.51) JAK2TNK2SRCALKPTK2
SCHEMBL15795013 0.82 JAK2 (0.49) JAK2ALK
SCHEMBL15795133 0.81 JAK2 (0.51) JAK2ALK
SCHEMBL11302133 0.80 ALK (0.51) JAK2ALKEGFR

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 7 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
EP-2665725-A1 BICYCLIC INHIBITORS OF ALK AbbVie Inc. (US) 2013-11-27 EP claimed
WO-2012097683-A1 BICYCLIC INHIBITORS OF ALK ABBOTT LABORATORIES (US) 2012-07-26 WO 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
WO-2012097479-A1 BICYCLIC INHIBITORS OF ANAPHASTIC LYMPHOMA KINASE 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 JAK2 104/4885TNK2 129/4885SRC 132/4885

“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.