SCHEMBL5565684

SCHEMBL5565684

CN1CCN(c2ccc(-c3cnc(N)c(-c4nnsc4-c4cccc(Cl)c4Cl)c3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.52
PTPN11 Q06124 1/20 0.47
TGFBR1 P36897 7/20 0.42
ACVR1 Q04771 7/20 0.42
MAP4K1 Q92918 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CNR2 P34972 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
SCHEMBL5570400 0.86 FYN (0.53) FYNPTPN11TGFBR1ACVR1MAP4K1
SCHEMBL5565503 0.83 FYN (0.56) FYNPTPN11TGFBR1ACVR1MAP4K1
SCHEMBL5571096 0.82 CNR2 (0.56) PTPN11CNR2
SCHEMBL5570224 0.79 MAP4K4 (0.38) FYNPTPN11
SCHEMBL11946789 0.77 FYN (0.46) FYN
SCHEMBL985098 0.75 FYN (0.52) FYNPTPN11TGFBR1ACVR1LRRK2
SCHEMBL982354 0.74 MAPK1 (0.39) PTPN11
SCHEMBL4407498 0.74 FYN (0.53) FYNPTPN11TGFBR1ACVR1MAP4K1
SCHEMBL24681500 0.73 FYN (0.65) FYNTGFBR1ACVR1MAP4K1
SCHEMBL29914537 0.73 FYN (0.65) FYNTGFBR1ACVR1MAP4K1

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 7 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-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 FYN 392/4885PTPN11 806/4885TGFBR1 2052/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 FYN 392/4885PTPN11 806/4885TGFBR1 2052/4885

“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.