SCHEMBL445755

SCHEMBL445755

N#Cc1cc(F)cc([C@H]2C[C@H](F)CN2c2ccc3ncc(C(N)=O)n3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 14/20 0.43
NTRK3 Q16288 5/20 0.43
NTRK2 Q16620 5/20 0.43
TGFBR1 P36897 5/20 0.40
TGFBR2 P37173 4/20 0.40
RIPK1 Q13546 1/20 0.36

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
SCHEMBL431230 0.91 TGFBR1 (0.44) NTRK1TGFBR1TGFBR2
SCHEMBL433722 0.87 NTRK1 (0.40) NTRK1NTRK3NTRK2
SCHEMBL464632 0.85 NTRK1 (0.51) NTRK1NTRK3NTRK2TGFBR1TGFBR2
SCHEMBL431910 0.85 NTRK1 (0.51) NTRK1NTRK3NTRK2TGFBR1TGFBR2
SCHEMBL23692348 0.84 TGFBR1 (0.40) NTRK1TGFBR1TGFBR2
SCHEMBL431237 0.84 TGFBR1 (0.40) NTRK1TGFBR1TGFBR2
SCHEMBL432125 0.82 TGFBR1 (0.44) NTRK1TGFBR1TGFBR2
SCHEMBL432130 0.79 NTRK1 (0.56) NTRK1
SCHEMBL21765976 0.79 NTRK1 (0.40) NTRK1
SCHEMBL23692309 0.79 NTRK1 (0.41) NTRK1NTRK3NTRK2

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 11 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
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
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 131/4885NTRK3 37/4885NTRK2 64/4885

“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.