SCHEMBL986812

SCHEMBL986812

Nc1ncc(-c2ccc(CN3CCCC(CO)C3)cc2)cc1-c1nnnn1-c1cccc(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
PDE2A O00408 2/20 0.42
CD274 Q9NZQ7 3/20 0.40
MAP4K4 O95819 1/20 0.39
CCR3 P51677 1/20 0.38
PDCD1 Q15116 2/20 0.38
LRRK2 Q5S007 2/20 0.38
CNR2 P34972 1/20 0.37
MET P08581 2/20 0.37
LTA4H P09960 1/20 0.37
ADRB2 P07550 1/20 0.36
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35

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
SCHEMBL985832 0.91 LRRK2 (0.42) CD274MAP4K4CCR3PDCD1LRRK2
SCHEMBL988115 0.88 AXL (0.42) PDE2ACD274PDCD1LRRK2AXL
SCHEMBL986497 0.88 AXL (0.42) PDE2ACD274PDCD1LRRK2AXL
SCHEMBL986495 0.88 AXL (0.42) PDE2ACD274PDCD1LRRK2AXL
SCHEMBL986411 0.88 LRRK2 (0.43) CYP2D6LRRK2CNR2METAXL
SCHEMBL28805617 0.87 LRRK2 (0.37) PDE2ALRRK2METLTA4HADRB2
SCHEMBL983309 0.86 LRRK2 (0.43) PDE2ACD274PDCD1LRRK2CNR2
SCHEMBL985996 0.86 SPHK1 (0.44) CD274PDCD1
SCHEMBL985994 0.86 SPHK1 (0.44) CD274PDCD1
SCHEMBL987862 0.84 MAP3K9 (0.45) MAP4K4LRRK2METAXLMERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101479255-B C-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA 2013-05-01 CN claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US claimed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US claimed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US claimed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP claimed
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
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

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 CYP2D6 4248/4885PDE2A 1745/4885CD274 3775/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 CYP2D6 4248/4885PDE2A 1745/4885CD274 3775/4885

“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.