SCHEMBL5568973

SCHEMBL5568973

CN1CCN(Cc2ccc(-c3cnc(N)c(-c4nn(CCO)cc4-c4cccc(Cl)c4Cl)c3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 10/20 0.44
MAP3K11 Q16584 3/20 0.41
MAP3K9 P80192 1/20 0.41
FYN P06241 1/20 0.41
PTPN11 Q06124 1/20 0.40
AXL P30530 3/20 0.40
MERTK Q12866 3/20 0.40
LRRK2 Q5S007 2/20 0.40

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
SCHEMBL12950421 0.92 TNIK (0.45) TNIKMAP3K11PTPN11AXLMERTK
SCHEMBL5570605 0.91 TNIK (0.45) TNIKMAP3K11FYNPTPN11AXL
SCHEMBL5565586 0.89 TNIK (0.42) TNIKMAP3K11PTPN11AXLMERTK
SCHEMBL5570409 0.85 MET (0.38) FYNPTPN11AXLMERTK
SCHEMBL5566500 0.83 TNIK (0.42) TNIKPTPN11AXLMERTKLRRK2
SCHEMBL5567386 0.81 CNR2 (0.55) PTPN11
SCHEMBL5570435 0.80 CHEK2 (0.44) FYNPTPN11
SCHEMBL5565503 0.77 FYN (0.56) FYNPTPN11LRRK2
SCHEMBL5569157 0.76 MAP4K4 (0.40) FYNPTPN11LRRK2
SCHEMBL5566998 0.73 NEK2 (0.39) FYNPTPN11LRRK2

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 9 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
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
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 TNIK 315/4885MAP3K11 68/4885MAP3K9 60/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 TNIK 315/4885MAP3K11 68/4885MAP3K9 60/4885

“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.