SCHEMBL430939

SCHEMBL430939

NC(=O)c1cnc2ccc(N3CCCC3c3cccc(F)c3)nn12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.67
NTRK2 Q16620 9/20 0.67
NTRK3 Q16288 7/20 0.67
JAK2 O60674 4/20 0.67
INSR P06213 3/20 0.67
LYN P07948 3/20 0.67
RET P07949 3/20 0.67
MET P08581 3/20 0.67
ROS1 P08922 3/20 0.67
FGR P09769 3/20 0.67
KIT P10721 3/20 0.67
FGFR4 P22455 3/20 0.67
FGFR3 P22607 3/20 0.67
TIE1 P35590 3/20 0.67
KDR P35968 3/20 0.67
FLT3 P36888 3/20 0.67
ALK Q9UM73 3/20 0.67
ABL1 P00519 2/20 0.60
LCK P06239 2/20 0.60
CSF1R P07333 2/20 0.60

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
SCHEMBL431798 1.00 NTRK1 (0.67) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL433253 0.97 NTRK1 (0.66) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL431828 0.97 NTRK1 (0.66) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL464692 0.91 NTRK1 (0.68) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL431737 0.91 NTRK1 (0.68) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL464635 0.91 NTRK1 (0.68) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL431623 0.91 NTRK1 (0.68) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL433239 0.91 NTRK1 (0.55) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL432017 0.91 NTRK1 (0.55) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL446188 0.90 NTRK1 (0.67) NTRK1NTRK2NTRK3JAK2INSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US claimed
EP-2614062-A1 IMIDAZO [1, 2]PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2013-07-17 EP claimed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 US claimed
WO-2012034091-A1 IMIDAZO [1, 2] PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO claimed
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US disclosed
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US disclosed
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US disclosed
EP-2614062-A1 IMIDAZO [1, 2]PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2013-07-17 EP disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 US disclosed
WO-2012034091-A1 IMIDAZO [1, 2] PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO disclosed
WO-2012034091-A1 IMIDAZO [1, 2] PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 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-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS TNK2, CNKSR1, BMP2K NTRK1 131/4885NTRK2 64/4885NTRK3 37/4885

“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.