SCHEMBL10100660

SCHEMBL10100660

CNC1CCC(COc2ccc(-n3nnnc3-c3cc(-c4cnn(CCC(C)C)c4)cnc3N)c(F)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.38
JAK2 O60674 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
KDR P35968 1/20 0.32
AURKB Q96GD4 1/20 0.32
MAPK1 P28482 3/20 0.32
MET P08581 3/20 0.32
BTK Q06187 1/20 0.32
NAMPT P43490 1/20 0.32
NTRK1 P04629 1/20 0.32
LRRK2 Q5S007 1/20 0.31
IKBKE Q14164 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
AXL P30530 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
MAP4K3 Q8IVH8 1/20 0.31

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
SCHEMBL10100800 0.93 KCNN4 (0.39) KCNN4JAK2PRMT5WDR77KDR
SCHEMBL10100648 0.92 JAK2 (0.34) JAK2PRMT5WDR77KDRAURKB
SCHEMBL10100694 0.91 KCNN4 (0.38) KCNN4JAK2PRMT5WDR77KDR
SCHEMBL10100628 0.91 MAP4K3 (0.39) KCNN4JAK2KDRAURKBMET
SCHEMBL10100659 0.90 KCNN4 (0.40) KCNN4MAPK1METLRRK2AXL
SCHEMBL10100803 0.86 JAK2 (0.35) KCNN4JAK2PRMT5WDR77KDR
SCHEMBL10100487 0.85 JAK2 (0.37) KCNN4JAK2PRMT5WDR77KDR
SCHEMBL10100653 0.84 JAK2 (0.37) KCNN4JAK2PRMT5WDR77KDR
SCHEMBL10100662 0.84 JAK2 (0.42) KCNN4JAK2METBTKAXL
SCHEMBL10100703 0.83 JAK2 (0.38) KCNN4JAK2PRMT5WDR77KDR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
WO-2010048131-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 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 (1 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-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 KCNN4 4066/4885JAK2 59/4885PRMT5 360/4885

“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.