SCHEMBL4403795

SCHEMBL4403795

CN1CCN(Cc2ccc(-c3cnc(N)c(-c4nnnn4-c4cccc(F)c4F)n3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.39
AXL P30530 2/20 0.38
LMNA P02545 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
DYRK1A Q13627 1/20 0.37
CHEK1 O14757 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
BRAF P15056 1/20 0.37
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
ATR Q13535 2/20 0.36
ACVR1 Q04771 3/20 0.36
MAP3K11 Q16584 1/20 0.36
PARP1 P09874 1/20 0.35
TNIK Q9UKE5 1/20 0.35
CHKA P35790 2/20 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
SCHEMBL4407186 0.90 ACVR1 (0.43) TLR7JAK2JAK1TYK2JAK3
SCHEMBL4407816 0.87 CHEK1 (0.51) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL985838 0.85 TNIK (0.44) AXLDYRK1AMAP3K11TNIKCHKA
SCHEMBL4404739 0.85 AXL (0.38) MAP4K4AXLLMNATLR7DYRK1A
SCHEMBL4404067 0.84 CHEK1 (0.40) MAP4K4AXLTLR7DYRK1ACHEK1
SCHEMBL4411492 0.83 ATR (0.47) ATRACVR1
SCHEMBL4412346 0.78 DYRK1A (0.38) MAP4K4AXLLMNATLR7DYRK1A
SCHEMBL985013 0.77 LRRK2 (0.42) AXLTLR7DYRK1ATNIK
SCHEMBL986663 0.76 LRRK2 (0.42) TLR7DYRK1ACHEK1
SCHEMBL13593428 0.76 KCNN4 (0.38) CHEK1

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 MAP4K4 150/4885AXL 503/4885LMNA 3472/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 MAP4K4 150/4885AXL 503/4885LMNA 3472/4885

“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.