SCHEMBL2454652

SCHEMBL2454652

Cc1ccc(NC(=O)COc2ccccc2)cc1Oc1ccc2nc(NC(=O)C3CC3)sc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.54
KDR P35968 2/20 0.53
PDGFRB P09619 1/20 0.53
KIT P10721 1/20 0.53
FLT1 P17948 1/20 0.53
MAPT P10636 11/20 0.50
KDM4E B2RXH2 4/20 0.50
TP53 P04637 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
BRAF P15056 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 3/20 0.45
THRB P10828 2/20 0.44
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL2452635 0.92 KDR (0.52) RAB9AKDRPDGFRBKITFLT1
SCHEMBL2458127 0.89 KDR (0.50) RAB9AKDRPDGFRBKITFLT1
SCHEMBL2453000 0.88 KDR (0.52) RAB9AKDRPDGFRBKITFLT1
SCHEMBL2860133 0.87 KDR (0.55) RAB9AKDRPDGFRBKITFLT1
SCHEMBL2452680 0.87 KDR (0.49) RAB9AKDRPDGFRBKITFLT1
SCHEMBL2450603 0.87 KDR (0.55) RAB9AKDRPDGFRBKITFLT1
SCHEMBL2452898 0.86 KDR (0.49) RAB9AKDRPDGFRBKITFLT1
SCHEMBL13293976 0.86 KDR (0.57) RAB9AKDRPDGFRBKITFLT1
SCHEMBL12334321 0.84 KDR (0.51) RAB9AKDRPDGFRBKITFLT1
SCHEMBL2456171 0.84 KDR (0.49) RAB9AKDRPDGFRBKITFLT1

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-2399921-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-12 EP 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

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 RAB9A 1543/4885KDR 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.