SCHEMBL986203

SCHEMBL986203

Nc1ncc(-c2ccc(CN3CCCC3)cc2)cc1-c1nnnn1-c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.43
MAP4K4 O95819 3/20 0.41
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
MAP3K9 P80192 1/20 0.39
MAP3K11 Q16584 1/20 0.39
MCHR1 Q99705 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
ACHE P22303 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
STAT3 P40763 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 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
SCHEMBL988146 0.92 LRRK2 (0.45) LRRK2MAP4K4ALDH1A1LMNAHTT
SCHEMBL983568 0.87 LRRK2 (0.44) LRRK2MAP4K4CYP2C19CYP2D6ALDH1A1
SCHEMBL984924 0.85 LRRK2 (0.44) LRRK2MAP4K4CYP2C19CYP2D6ACHE
SCHEMBL986411 0.84 LRRK2 (0.43) LRRK2CYP2C19CYP2D6CNR1CNR2
SCHEMBL986191 0.84 LRRK2 (0.43) LRRK2MAP4K4MCHR1ALDH1A1LMNA
SCHEMBL984819 0.84 LRRK2 (0.45) LRRK2MAP4K4ALDH1A1LMNAHTT
SCHEMBL986564 0.84 LRRK2 (0.44) LRRK2MAP4K4CYP2C19CYP2D6ALDH1A1
SCHEMBL986283 0.84 TAAR1 (0.45) MAP4K4CYP2C19ALDH1A1LMNAHTT
SCHEMBL983197 0.84 LRRK2 (0.44) LRRK2CYP2C19CYP2D6ALDH1A1ACHE
SCHEMBL986722 0.83 LRRK2 (0.42) LRRK2CYP2C19CYP2D6CNR1CNR2

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 LRRK2 347/4885MAP4K4 150/4885CYP2C19 4111/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 LRRK2 347/4885MAP4K4 150/4885CYP2C19 4111/4885

“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.