SCHEMBL2853596

SCHEMBL2853596

N#CC1(c2cccc(C(=O)Nc3cccc(Oc4ccc5nc(NC(=O)CO)sc5n4)c3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.48
PDGFRB P09619 1/20 0.48
KIT P10721 1/20 0.48
FLT1 P17948 1/20 0.48
BRAF P15056 12/20 0.47
SCD O00767 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.36
DHODH Q02127 1/20 0.36
KMT2A Q03164 1/20 0.36
LOX P28300 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL2849168 0.93 KDR (0.48) KDRPDGFRBKITFLT1BRAF
SCHEMBL2859583 0.89 KDR (0.61) KDRPDGFRBKITFLT1BRAF
SCHEMBL2189916 0.89 SCD (0.50) KDRPDGFRBKITFLT1BRAF
SCHEMBL2862016 0.89 KDR (0.41) KDRPDGFRBKITFLT1BRAF
SCHEMBL2855354 0.88 KDR (0.49) KDRPDGFRBKITFLT1BRAF
SCHEMBL2861992 0.88 MEN1 (0.44) KDRPDGFRBKITFLT1BRAF
SCHEMBL2855529 0.88 KDR (0.51) KDRPDGFRBKITFLT1BRAF
SCHEMBL2860370 0.86 BRAF (0.47) KDRPDGFRBKITFLT1BRAF
SCHEMBL2857506 0.84 BRAF (0.61) KDRPDGFRBKITFLT1BRAF
SCHEMBL2855717 0.82 KDR (0.54) KDRPDGFRBKITFLT1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 KDR 983/4885PDGFRB 1509/4885KIT 1095/4885

“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.