SCHEMBL4409341

SCHEMBL4409341

Nc1ncc(-c2ccc(CN3CCOCC3)cc2)nc1-c1nncn1-c1cccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 2/20 0.43
LRRK2 Q5S007 5/20 0.41
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
ATR Q13535 5/20 0.38
PIK3CA P42336 1/20 0.38
PDE2A O00408 2/20 0.37
AKT1 P31749 1/20 0.37
MET P08581 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL4404739 0.90 AXL (0.38) ACVR1ATR
SCHEMBL4407186 0.85 ACVR1 (0.43) ACVR1LRRK2JAK2JAK1TYK2
SCHEMBL4405339 0.84 ACVR1 (0.44) ACVR1LRRK2JAK2JAK1TYK2
SCHEMBL4414226 0.82 ATR (0.36) ATR
SCHEMBL13593345 0.82 JAK2 (0.46) ACVR1LRRK2JAK2JAK1TYK2
SCHEMBL4408749 0.81 ATR (0.47) ACVR1ATR
SCHEMBL28805612 0.81 ATR (0.33) ATR
SCHEMBL4407291 0.80 CHEK1 (0.51) JAK2JAK1TYK2JAK3ATR
SCHEMBL4411403 0.80 MAPK1 (0.36) ATRMET
SCHEMBL4405356 0.77 ATR (0.44) ATR

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 13 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
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
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 ACVR1 796/4885LRRK2 347/4885JAK2 33/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 ACVR1 796/4885LRRK2 347/4885JAK2 33/4885

“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.