SCHEMBL11296289

SCHEMBL11296289

COc1cc(N2CCN(C)CC2)ccc1Nc1nc(Cc2c(Cl)cccc2Cl)cc2cc[nH]c(=O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.50
TNK2 Q07912 3/20 0.50
JAK2 O60674 2/20 0.50
SRC P12931 2/20 0.50
PTK2 Q05397 2/20 0.48
EGFR P00533 4/20 0.47
INSR P06213 3/20 0.47
IGF1R P08069 3/20 0.47
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
MAP3K7 O43318 1/20 0.45
AXL P30530 1/20 0.44
MAPK7 Q13164 3/20 0.44
LRRK2 Q5S007 3/20 0.44
GAK O14976 1/20 0.44
DCLK1 O15075 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
SCHEMBL15795213 0.92 ALK (0.55) ALKEGFR
SCHEMBL15794478 0.89 ALK (0.49) ALKEGFRINSRIGF1R
SCHEMBL15754753 0.88 ALK (0.51) ALKTNK2JAK2SRCPTK2
SCHEMBL11297437 0.88 ALK (0.51) ALKTNK2JAK2SRCPTK2
SCHEMBL11320105 0.87 JAK2 (0.48) ALKTNK2JAK2SRCPTK2
SCHEMBL11306850 0.86 ALK (0.60) ALKMAP3K7LRRK2
SCHEMBL15795524 0.86 PTK2 (0.50) ALKTNK2PTK2EGFRINSR
SCHEMBL11299226 0.83 ALK (0.60) ALKIGF1RMAP3K7
SCHEMBL11293700 0.82 ALK (0.52) ALKTNK2JAK2SRCPTK2
SCHEMBL15794945 0.82 ALK (0.43) 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 5 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
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 ALK 1/4885TNK2 129/4885JAK2 104/4885

“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.