SCHEMBL4391013

SCHEMBL4391013

NC(=O)c1ccc(Nc2ncc(F)c(NC3CCC(N)CC3)n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 8/20 0.76
FLT3 P36888 8/20 0.76
SYK P43405 8/20 0.65
AURKA O14965 5/20 0.64
AURKB Q96GD4 3/20 0.64
JAK2 O60674 2/20 0.64
EGFR P00533 1/20 0.60
NTRK1 P04629 1/20 0.60
CDK1 P06493 1/20 0.60
IGF1R P08069 1/20 0.60
EPHA1 P21709 1/20 0.60
CDK2 P24941 1/20 0.60
BMX P51813 1/20 0.60
JAK3 P52333 1/20 0.60
CDK6 Q00534 1/20 0.60
PAK1 Q13153 1/20 0.60
ALK Q9UM73 1/20 0.60

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
SCHEMBL4391016 1.00 KIT (0.76) KITFLT3SYKAURKAAURKB
SCHEMBL12082959 1.00 KIT (0.76) KITFLT3SYKAURKAAURKB
SCHEMBL14607406 0.91 SYK (0.74) KITFLT3SYKAURKAAURKB
SCHEMBL28519550 0.86 FLT3 (1.00) KITFLT3AURKAEGFRNTRK1
SCHEMBL28522032 0.86 FLT3 (1.00) KITFLT3AURKAEGFRNTRK1
SCHEMBL20336254 0.85 KIT (0.58) KITFLT3SYKAURKAAURKB
SCHEMBL20336253 0.85 KIT (0.58) KITFLT3SYKAURKAAURKB
SCHEMBL3496536 0.81 AURKA (0.58) KITFLT3SYKAURKAAURKB
SCHEMBL4374317 0.80 SYK (0.79) SYKALK
SCHEMBL12082995 0.80 SYK (0.79) SYKALK

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-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US claimed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 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-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 KIT 175/4885FLT3 18/4885SYK 1/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 KIT 175/4885FLT3 18/4885SYK 1/4885

“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.