SCHEMBL2453008

SCHEMBL2453008

Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)sc3n2)ccc1F

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.69
KDR P35968 3/20 0.57
PDGFRB P09619 1/20 0.53
KIT P10721 1/20 0.53
FLT1 P17948 1/20 0.53
RIPK3 Q9Y572 14/20 0.47
RIPK1 Q13546 11/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ABL1 P00519 1/20 0.44

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
SCHEMBL15946928 0.93 BRAF (0.67) BRAFKDRPDGFRBKITFLT1
SCHEMBL2454813 0.88 BRAF (0.59) BRAFKDRPDGFRBKITFLT1
SCHEMBL2855636 0.87 BRAF (0.54) BRAFKDRPDGFRBKITFLT1
SCHEMBL2851381 0.86 BRAF (0.77) BRAFKDRPDGFRBKITFLT1
SCHEMBL29525646 0.85 RIPK3 (0.62) RIPK3RIPK1CASP3SENP8SENP7
SCHEMBL2860515 0.84 KDR (0.62) BRAFKDRPDGFRBKITFLT1
SCHEMBL2851233 0.83 BRAF (0.54) BRAFKDRPDGFRBKITFLT1
SCHEMBL14705755 0.82 BRAF (0.54) BRAFKDRPDGFRBKITFLT1
SCHEMBL1258338 0.82 BRAF (0.56) BRAFKDRPDGFRBKITFLT1
SCHEMBL2452684 0.81 BRAF (0.67) 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 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
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
EP-2399921-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-12 EP disclosed
US-8697874-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-15 US disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
EP-2399921-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-12-28 EP disclosed
US-20110237620-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-29 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 (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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 BRAF 1/4885KDR 983/4885PDGFRB 1509/4885
US-20110237620-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NR3C2, RAF1 BRAF 1/4885KDR 432/4885PDGFRB 2247/4885

“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.