SCHEMBL986314

SCHEMBL986314

Nc1ncc(-c2cnn(C[C@@H]3CCCN3)c2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.34
JAK1 P23458 3/20 0.34
TYK2 P29597 3/20 0.34
JAK3 P52333 3/20 0.34
KCNN4 O15554 3/20 0.34
LRRK2 Q5S007 1/20 0.34
GRK2 P25098 1/20 0.34
GRK5 P34947 1/20 0.34
MET P08581 2/20 0.33
ALK Q9UM73 1/20 0.33
MAPK1 P28482 4/20 0.32
MAP4K3 Q8IVH8 2/20 0.32

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
SCHEMBL986316 1.00 JAK2 (0.34) JAK2JAK1TYK2JAK3KCNN4
SCHEMBL12924161 0.88 BMPR1A (0.43) KCNN4LRRK2GRK2GRK5MET
SCHEMBL984510 0.88 BMPR1A (0.40) KCNN4GRK2GRK5METALK
SCHEMBL986488 0.86 MET (0.40) KCNN4LRRK2GRK2GRK5MET
SCHEMBL12924158 0.86 MET (0.45) KCNN4LRRK2GRK2GRK5MET
SCHEMBL985945 0.82 KDR (0.40) KCNN4LRRK2METMAPK1
SCHEMBL985199 0.81 AXL (0.38) KCNN4LRRK2MET
SCHEMBL986251 0.81 KCNN4 (0.41) KCNN4
SCHEMBL986260 0.81 MET (0.47) GRK2GRK5METALKMAP4K3
SCHEMBL986886 0.81 MET (0.47) GRK2GRK5METALKMAP4K3

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 JAK2 33/4885JAK1 133/4885TYK2 948/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 JAK2 33/4885JAK1 133/4885TYK2 948/4885

“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.