SCHEMBL5570581

SCHEMBL5570581

CN(C)Cc1ccc(-c2cnc(N)c(-c3nn(C4CCCCC4)cc3-c3cccc(Cl)c3Cl)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.36
AXL P30530 3/20 0.36
MERTK Q12866 2/20 0.36
ACVR1 Q04771 1/20 0.36
PIK3CD O00329 1/20 0.36
CNR2 P34972 4/20 0.35
MAP4K4 O95819 1/20 0.34
CNR1 P21554 1/20 0.34
JAK2 O60674 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
AURKA O14965 1/20 0.33
CDK2 P24941 1/20 0.33
TTK P33981 1/20 0.33
NEK2 P51955 1/20 0.33
PLK1 P53350 1/20 0.33
MET P08581 1/20 0.33
MAP4K3 Q8IVH8 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
SCHEMBL5566500 0.86 TNIK (0.42) PTPN11AXLMERTK
SCHEMBL5570352 0.82 FYN (0.41) PTPN11PIK3CDJAK2METMAP4K3
SCHEMBL5569157 0.81 MAP4K4 (0.40) PTPN11MAP4K4TAAR1AURKACDK2
SCHEMBL5570409 0.80 MET (0.38) PTPN11AXLMERTKMAP4K4TAAR1
SCHEMBL5566998 0.80 NEK2 (0.39) PTPN11PIK3CDMAP4K4TAAR1AURKA
SCHEMBL5570224 0.74 MAP4K4 (0.38) PTPN11MAP4K4TAAR1AURKACDK2
SCHEMBL5570361 0.70 JAK2 (0.58) AXLMERTKACVR1JAK2AURKA
SCHEMBL985375 0.70 CNR2 (0.35) PTPN11CNR2CNR1
SCHEMBL12950421 0.69 TNIK (0.45) PTPN11AXLMERTK
SCHEMBL5570605 0.69 TNIK (0.45) PTPN11AXLMERTKMAP4K4

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-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 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 (2 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-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 PTPN11 806/4885AXL 503/4885MERTK 30/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 PTPN11 806/4885AXL 503/4885MERTK 30/4885

“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.