SCHEMBL448581

SCHEMBL448581

NC(=O)c1cnn2ccc(Cl)nc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.46
NTRK1 P04629 8/20 0.43
JAK2 O60674 8/20 0.43
IRAK4 Q9NWZ3 4/20 0.42
FLT3 P36888 3/20 0.42
TSHR P16473 1/20 0.39
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL461050 0.87 FLT3 (0.44) TGFBR1JAK2IRAK4FLT3JAK1
SCHEMBL401639 0.85 FLT3 (0.41) JAK2IRAK4FLT3JAK1TYK2
SCHEMBL10246668 0.84 FLT3 (0.43) NTRK1JAK2IRAK4FLT3TYK2
SCHEMBL13355580 0.82 TGFBR1 (0.46) TGFBR1NTRK1JAK2IRAK4PARP1
SCHEMBL21285357 0.82 JAK2 (0.47) TGFBR1NTRK1JAK2JAK1TYK2
SCHEMBL13355648 0.81 TGFBR1 (0.57) TGFBR1NTRK1JAK2IRAK4JAK1
SCHEMBL10190991 0.80 PDE4B (0.47) IRAK4FLT3TSHRTYK2
SCHEMBL30993352 0.80 TGFBR1 (0.49) TGFBR1NTRK1JAK2JAK1TYK2
SCHEMBL24607321 0.77 NTRK1 (0.47) TGFBR1NTRK1JAK2IRAK4TYK2
SCHEMBL26352050 0.77 TGFBR1 (0.46) TGFBR1NTRK1JAK2IRAK4JAK1

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 6 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 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
WO-2012034091-A1 IMIDAZO [1, 2] PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO disclosed
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO disclosed
WO-2012034095-A1 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 TGFBR1 1680/4885NTRK1 131/4885JAK2 615/4885

“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.