SCHEMBL987293

SCHEMBL987293

Nc1ncc(-c2ccc(CN3CCC(O)C3)cc2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.41
MERTK Q12866 4/20 0.41
LRRK2 Q5S007 3/20 0.40
PDCD1 Q15116 4/20 0.39
CD274 Q9NZQ7 4/20 0.39
HTR2C P28335 1/20 0.37
MCHR1 Q99705 1/20 0.37
PIK3CD O00329 1/20 0.37
AKT1 P31749 1/20 0.36
CHEK1 O14757 1/20 0.36
ACHE P22303 1/20 0.36
PDE2A O00408 1/20 0.36
KCNN4 O15554 2/20 0.35
CYP11B2 P19099 1/20 0.35
ACVRL1 P37023 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
SCHEMBL2074621 1.00 AXL (0.41) AXLMERTKLRRK2PDCD1CD274
SCHEMBL987292 1.00 AXL (0.41) AXLMERTKLRRK2PDCD1CD274
SCHEMBL985013 0.88 LRRK2 (0.42) AXLMERTKLRRK2KCNN4
SCHEMBL985856 0.88 AXL (0.43) AXLMERTKLRRK2
SCHEMBL988115 0.88 AXL (0.42) AXLMERTKLRRK2PDCD1CD274
SCHEMBL986495 0.88 AXL (0.42) AXLMERTKLRRK2PDCD1CD274
SCHEMBL986497 0.88 AXL (0.42) AXLMERTKLRRK2PDCD1CD274
SCHEMBL986663 0.88 LRRK2 (0.42) LRRK2CHEK1ACHEKCNN4
SCHEMBL985838 0.86 TNIK (0.44) AXLMERTKLRRK2
SCHEMBL985532 0.84 KCNN4 (0.37) LRRK2CHEK1ACHEKCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 AXL 503/4885MERTK 30/4885LRRK2 347/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 AXL 503/4885MERTK 30/4885LRRK2 347/4885

“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.