SCHEMBL3094563

SCHEMBL3094563

O=c1[nH]nccc1-c1cc(F)cc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.56
MET P08581 5/20 0.42
IDO1 P14902 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RX7 Q99572 2/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
NISCH Q9Y2I1 1/20 0.34
SCN4A P35499 1/20 0.34
NTRK1 P04629 2/20 0.34
PGR P06401 1/20 0.33

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
SCHEMBL14955413 0.84 NOTUM (0.43) NOTUMMETIDO1PDE3BPDE3A
Hydrochloric Acid SCHEMBL30015576 0.81 SCN4A (0.45) NOTUMIDO1P2RX7SCN4A
SCHEMBL2326304 0.78 NOTUM (0.40) NOTUMPDE3BPDE3AP2RX7
SCHEMBL1456892 0.77 HCAR2 (0.41) NOTUMIDO1SCN4A
SCHEMBL3342950 0.75 BRD4 (0.43) NOTUMIDO1PDE3BPDE3AP2RX7
SCHEMBL918364 0.75 SCN4A (0.52) NOTUMMETSCN4A
Hydrochloric Acid SCHEMBL30014721 0.73 SCN4A (0.50) NOTUMMETSCN4A
SCHEMBL28815828 0.72 RPS6KA3 (0.47) IDO1
SCHEMBL4787445 0.72 SCN4A (0.48) SCN4A
SCHEMBL5070318 0.72 KDR (0.41) PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284300-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-03-15 US disclosed
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-08 US disclosed
US-8927540-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2015-01-06 US disclosed
US-8921357-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2014-12-30 US disclosed
US-8580781-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2013-11-12 US disclosed
US-20130184261-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-07-18 US disclosed
US-20130184260-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-07-18 US disclosed
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US 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 (4 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-20130184261-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 NOTUM 4442/4885MET 1/4885IDO1 949/4885
US-20130184260-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 NOTUM 4507/4885MET 1/4885IDO1 1064/4885
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 NOTUM 4507/4885MET 1/4885IDO1 1064/4885
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 NOTUM 4534/4885MET 1/4885IDO1 1192/4885

“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.