SCHEMBL2860370

SCHEMBL2860370

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.47
KDR P35968 9/20 0.44
PDGFRB P09619 1/20 0.44
KIT P10721 1/20 0.44
FLT1 P17948 1/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
LOX P28300 4/20 0.39
LOXL2 Q9Y4K0 4/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLAU P00749 1/20 0.38

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
SCHEMBL2194069 0.88 NPC1 (0.50) BRAFKDRPDGFRBKITFLT1
SCHEMBL2853188 0.88 BRAF (0.42) BRAFKDRPDGFRBKITFLT1
SCHEMBL2853472 0.87 RAB9A (0.47) BRAFKDRNPC1RAB9AALDH1A1
SCHEMBL2853938 0.87 KDR (0.47) BRAFKDRPDGFRBKITFLT1
SCHEMBL2859583 0.86 KDR (0.61) BRAFKDRPDGFRBKITFLT1
SCHEMBL2853596 0.86 KDR (0.48) BRAFKDRPDGFRBKITFLT1
SCHEMBL2849168 0.86 KDR (0.48) BRAFKDRPDGFRBKITFLT1
SCHEMBL2862024 0.82 BRAF (0.56) BRAFKDR
SCHEMBL2855354 0.81 KDR (0.49) BRAFKDRPDGFRBKITFLT1
SCHEMBL2851294 0.81 KDR (0.56) BRAFKDRPDGFRBKITFLT1

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 4 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-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

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 BRAF 1/4885KDR 983/4885PDGFRB 1509/4885

“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.