SCHEMBL645120

SCHEMBL645120

COc1ccc(-c2cccc(NC(C)=O)c2)c2c1[nH]c1ncc(C)cc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.54
PIK3C3 Q8NEB9 1/20 0.48
DYRK1A Q13627 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
FYN P06241 6/20 0.43
BRAF P15056 4/20 0.43
CHEK1 O14757 2/20 0.43
FGFR1 P11362 1/20 0.42
NEK2 P51955 1/20 0.42
MAPK15 Q8TD08 1/20 0.42
NTRK1 P04629 1/20 0.42
FBP1 P09467 1/20 0.41
USP7 Q93009 1/20 0.41

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
SCHEMBL644214 0.88 KIT (0.44) KITKDRFLT3FYNCHEK1
SCHEMBL3887284 0.88 PIK3C3 (0.52) KITPIK3C3DYRK1ADYRK1BKDR
SCHEMBL13155050 0.87 PIK3C3 (0.51) KITPIK3C3DYRK1ADYRK1BFYN
SCHEMBL645525 0.82 FYN (0.40) KITDYRK1AKDRFLT3FYN
SCHEMBL644482 0.80 HPGD (0.45) KITFLT3FYNCHEK1FGFR1
SCHEMBL645354 0.79 FYN (0.49) FLT3FYNCHEK1FGFR1NTRK1
SCHEMBL645329 0.79 CDK9 (0.44) KDRFLT3FYNCHEK1FGFR1
SCHEMBL646327 0.79 LCK (0.50) KITKDRFLT3FYNCHEK1
SCHEMBL2612701 0.79 NTRK1 (0.55) KITKDRFLT3FYNCHEK1
SCHEMBL14547648 0.78 CHUK (0.39) KITDYRK1ADYRK1BKDRFLT3

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US claimed
EP-2145878-A2 Aurora Kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2010-01-20 EP claimed
EP-1931669-A1 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2008-06-18 EP claimed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US claimed
WO-2007044779-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-04-19 WO claimed
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-8278450-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-02 US disclosed
WO-2008054956-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-05-08 WO disclosed
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO disclosed
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
WO-2007044779-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-04-19 WO disclosed
WO-2007044779-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-04-19 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 (3 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-20070117816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 KIT 289/4885PIK3C3 114/4885DYRK1A 737/4885
US-20100190816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 KIT 289/4885PIK3C3 114/4885DYRK1A 737/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 KIT 455/4885PIK3C3 90/4885DYRK1A 823/4885

“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.