SCHEMBL10100760

SCHEMBL10100760

CCN(CC)CCOc1ccc(-n2nnnc2-c2cc(-c3cnn(CC(C)C)c3)cnc2N)c(F)c1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.36
JAK2 O60674 2/20 0.34
PIK3CA P42336 2/20 0.33
PDPK1 O15530 1/20 0.33
FGFR1 P11362 2/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
MAPK1 P28482 6/20 0.32
KDR P35968 1/20 0.31
AURKB Q96GD4 1/20 0.31
MET P08581 3/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CG P48736 1/20 0.30
KCNN4 O15554 1/20 0.30
PDGFRB P09619 1/20 0.30
SRC P12931 1/20 0.30
PDGFRA P16234 1/20 0.30

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
SCHEMBL10100573 0.95 LRRK2 (0.36) LRRK2JAK2PIK3CAPDPK1FGFR1
SCHEMBL10100761 0.93 JAK2 (0.36) LRRK2JAK2MAPK1KDRAURKB
SCHEMBL10100758 0.91 LRRK2 (0.37) LRRK2JAK2PIK3CAFGFR1FGFR3
SCHEMBL10100574 0.88 JAK2 (0.37) LRRK2JAK2MAPK1KDRAURKB
SCHEMBL10100397 0.87 LRRK2 (0.35) LRRK2JAK2PIK3CAPDPK1FGFR1
SCHEMBL10100722 0.87 JAK2 (0.35) LRRK2JAK2FGFR1FGFR2FGFR3
SCHEMBL10100714 0.86 JAK2 (0.34) LRRK2JAK2FGFR1FGFR2FGFR3
SCHEMBL10100517 0.86 MET (0.37) LRRK2JAK2PIK3CAPDPK1FGFR1
SCHEMBL10100572 0.86 LRRK2 (0.37) LRRK2JAK2PIK3CAFGFR1FGFR3
SCHEMBL10100764 0.85 KCNN4 (0.34) JAK2FGFR1KDRKCNN4PDGFRB

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 2 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-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 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 (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 LRRK2 856/4885JAK2 59/4885PIK3CA 196/4885

“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.