SCHEMBL10100474

SCHEMBL10100474

CNCCCOc1ccc(-n2nnnc2-c2cc(-c3cnn(CC(C)C)c3)cnc2N)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.35
LRRK2 Q5S007 1/20 0.35
MAPK1 P28482 6/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
PIK3CA P42336 2/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 1/20 0.33
PDPK1 O15530 1/20 0.33
NTRK1 P04629 1/20 0.33
MET P08581 3/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CG P48736 1/20 0.31
KCNN4 O15554 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
SCHEMBL10100487 0.93 JAK2 (0.37) JAK2LRRK2MAPK1PRMT5WDR77
SCHEMBL10100653 0.91 JAK2 (0.37) JAK2LRRK2MAPK1PRMT5WDR77
SCHEMBL10100472 0.90 LRRK2 (0.37) JAK2LRRK2MAPK1PRMT5WDR77
SCHEMBL10100517 0.90 MET (0.37) JAK2LRRK2MAPK1PRMT5WDR77
SCHEMBL10100397 0.89 LRRK2 (0.35) JAK2LRRK2MAPK1PRMT5WDR77
SCHEMBL10100468 0.88 LRRK2 (0.41) LRRK2MAPK1KDRMETFGFR1
SCHEMBL10100573 0.88 LRRK2 (0.36) JAK2LRRK2MAPK1PRMT5WDR77
SCHEMBL10100458 0.87 JAK2 (0.35) JAK2LRRK2MAPK1METFGFR1
SCHEMBL2356890 0.86 LRRK2 (0.40) LRRK2MAPK1KDRMETFGFR1
SCHEMBL10100431 0.86 JAK2 (0.35) JAK2LRRK2MAPK1METFGFR1

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 JAK2 59/4885LRRK2 856/4885MAPK1 357/4885

“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.