SCHEMBL12470775

SCHEMBL12470775

O=S(=O)(Oc1ccc2ncc(N3CCC(O)CC3)cc2c1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MET P08581 3/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
ABL1 P00519 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SCN9A Q15858 4/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 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
SCHEMBL14784591 0.87 MET (0.44) CNR1CNR2METPDE3BPDE3A
SCHEMBL14783394 0.86 MET (0.42) CNR1CNR2METPDE3BPDE3A
SCHEMBL14784218 0.85 MET (0.43) CNR1CNR2METPDE3BPDE3A
SCHEMBL14783729 0.85 HTR3A (0.45) METALDH1A1HPGDSCN9ACA1
SCHEMBL14783571 0.85 AKR1C3 (0.43) SCN9ACA1CA2DRD2DRD3
SCHEMBL12470515 0.84 MET (0.45) CNR1CNR2METPDE3BPDE3A
SCHEMBL12470769 0.84 HTR3A (0.53) METPDE3BPDE3AMEN1KMT2A
SCHEMBL14783372 0.83 MET (0.41) CNR1CNR2METPDE3BPDE3A
SCHEMBL14783178 0.83 PDE3B (0.43) CNR1CNR2METPDE3BPDE3A
SCHEMBL14793316 0.83 CNR2 (0.40) CNR1CNR2METPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2673277-A1 [1, 2, 4]TRIAZOLO [4, 3 -B]PYRIDAZINE COMPOUNDS AS INHIBITORS OF THE C-MET TYROSINE KINASE Novartis AG (CH) 2013-12-18 EP disclosed
US-20130324526-A1 [1,2,4] TRIAZOLO [4,3-B] PYRIDAZINE COMPOUNDS AS INHIBITORS OF THE C-MET TYROSINE KINASE NOVARTIS AG (CH) 2013-12-05 US disclosed
WO-2012107500-A1 [1, 2, 4] TRIAZOLO [4, 3 -B] PYRIDAZINE COMPOUNDS AS INHIBITORS OF THE C-MET TYROSINE KINASE NOVARTIS AG (CH) 2012-08-16 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-20130324526-A1 [1,2,4] TRIAZOLO [4,3-B] PYRIDAZINE COMPOUNDS AS INHIBITORS OF THE C-MET TYROSINE KINASE MET, ERBB2, RET CNR1 2107/4885CNR2 2031/4885MET 1/4885

“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.