SCHEMBL985832

SCHEMBL985832

Nc1ncc(-c2ccc(CN3CCC(CO)CC3)cc2)cc1-c1nnnn1-c1cccc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.42
AKT1 P31749 2/20 0.41
AXL P30530 2/20 0.37
MERTK Q12866 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
AKT2 P31751 1/20 0.37
PTPN11 Q06124 1/20 0.36
MAP4K4 O95819 1/20 0.36
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
MCHR1 Q99705 1/20 0.36
CCR3 P51677 1/20 0.36
DCPS Q96C86 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 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
SCHEMBL983309 0.92 LRRK2 (0.43) LRRK2AKT1AXLMERTKAKT2
SCHEMBL986812 0.91 CYP2D6 (0.46) LRRK2AXLMERTKMAP4K4CCR3
SCHEMBL986411 0.90 LRRK2 (0.43) LRRK2AXLMERTKCNR1CNR2
SCHEMBL987862 0.89 MAP3K9 (0.45) LRRK2AKT1AXLMERTKAKT2
SCHEMBL986497 0.89 AXL (0.42) LRRK2AKT1AXLMERTKPDCD1
SCHEMBL988115 0.89 AXL (0.42) LRRK2AKT1AXLMERTKPDCD1
SCHEMBL986495 0.89 AXL (0.42) LRRK2AKT1AXLMERTKPDCD1
SCHEMBL984934 0.88 LRRK2 (0.42) LRRK2MAP4K4P2RX7
SCHEMBL27900749 0.88 LRRK2 (0.41) LRRK2AKT1AXLMERTKAKT2
SCHEMBL985348 0.87 P2RX7 (0.42) LRRK2AKT1P2RX7

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 15 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
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

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 LRRK2 347/4885AKT1 72/4885AXL 503/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 LRRK2 347/4885AKT1 72/4885AXL 503/4885

“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.