SCHEMBL2455839

SCHEMBL2455839

O=C(NCCOc1ccccc1)Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)sc3n2)ccc1F

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.64
KDR P35968 3/20 0.56
RIPK3 Q9Y572 16/20 0.52
RIPK1 Q13546 12/20 0.52
PDGFRB P09619 1/20 0.48
KIT P10721 1/20 0.48
FLT1 P17948 1/20 0.48

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
SCHEMBL2455436 0.86 BRAF (0.64) BRAFKDRRIPK3RIPK1
SCHEMBL2851381 0.84 BRAF (0.77) BRAFKDRRIPK3RIPK1PDGFRB
SCHEMBL2452470 0.83 BRAF (0.69) BRAFKDRRIPK3RIPK1
SCHEMBL2456245 0.83 BRAF (0.64) BRAFKDRRIPK3RIPK1
SCHEMBL12333868 0.82 BRAF (0.63) BRAFKDRRIPK3RIPK1
SCHEMBL2452675 0.82 BRAF (0.67) BRAFKDRRIPK3RIPK1PDGFRB
SCHEMBL2456065 0.81 RIPK1 (0.65) BRAFKDRRIPK3RIPK1
SCHEMBL2452667 0.81 BRAF (0.65) BRAFKDRRIPK3RIPK1PDGFRB
SCHEMBL2452584 0.81 RIPK1 (0.64) BRAFKDRRIPK3RIPK1PDGFRB
SCHEMBL2454632 0.79 BRAF (0.70) BRAFKDRRIPK3RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20110237620-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-29 US disclosed
US-20110237620-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-29 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 (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-20110237620-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NR3C2, RAF1 BRAF 1/4885KDR 432/4885RIPK3 705/4885

“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.