SCHEMBL5570356

SCHEMBL5570356

Nc1ncc(-c2ccc(CN3CCCC3)cc2)cc1-n1nnnc1-c1cccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.41
WNT1 P04628 1/20 0.41
KCNN4 O15554 9/20 0.39
LRRK2 Q5S007 2/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
MET P08581 1/20 0.36
CLK2 P49760 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TNIK Q9UKE5 1/20 0.35
TLR7 Q9NYK1 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
SCHEMBL985013 0.89 LRRK2 (0.42) DYRK1AWNT1KCNN4LRRK2CYP2D6
SCHEMBL986663 0.89 LRRK2 (0.42) DYRK1AWNT1KCNN4LRRK2CYP2D6
SCHEMBL986852 0.85 LRRK2 (0.42) DYRK1AWNT1KCNN4LRRK2CYP2D6
SCHEMBL986375 0.85 LRRK2 (0.43) KCNN4LRRK2CYP2D6CYP2C19DRD2
SCHEMBL986564 0.84 LRRK2 (0.44) DYRK1AWNT1LRRK2CYP2D6CYP2C19
SCHEMBL985351 0.83 LRRK2 (0.42) KCNN4LRRK2CYP2D6CYP2C19MET
SCHEMBL985135 0.82 LRRK2 (0.41) KCNN4LRRK2TLR7
SCHEMBL986252 0.82 LRRK2 (0.43) KCNN4LRRK2DRD2DRD4DRD3
SCHEMBL986807 0.82 LRRK2 (0.43) LRRK2CYP2D6CYP2C19METHRH4
SCHEMBL985838 0.82 TNIK (0.44) DYRK1ALRRK2DRD2DRD4DRD3

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 8 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-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-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 DYRK1A 1036/4885WNT1 2379/4885KCNN4 4013/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 DYRK1A 1036/4885WNT1 2379/4885KCNN4 4013/4885

“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.