SCHEMBL2452898

SCHEMBL2452898

Cc1ccc(NC(=O)CSc2ccccc2)cc1Oc1ccc2nc(NC(=O)C3CC3)sc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.49
PDGFRB P09619 1/20 0.49
KIT P10721 1/20 0.49
FLT1 P17948 1/20 0.49
KMT2A Q03164 10/20 0.45
MEN1 O00255 9/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
BRAF P15056 1/20 0.44
ABL1 P00519 1/20 0.42
LMNA P02545 2/20 0.42
PABPC1 P11940 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL2453000 0.87 KDR (0.52) KDRPDGFRBKITFLT1KMT2A
SCHEMBL2860133 0.86 KDR (0.55) KDRPDGFRBKITFLT1KMT2A
SCHEMBL2454652 0.86 RAB9A (0.54) KDRPDGFRBKITFLT1KMT2A
SCHEMBL2452680 0.86 KDR (0.49) KDRPDGFRBKITFLT1MAPT
SCHEMBL2450603 0.86 KDR (0.55) KDRPDGFRBKITFLT1KMT2A
SCHEMBL13293976 0.85 KDR (0.57) KDRPDGFRBKITFLT1KMT2A
SCHEMBL2452635 0.85 KDR (0.52) KDRPDGFRBKITFLT1KMT2A
SCHEMBL2458127 0.85 KDR (0.50) KDRPDGFRBKITFLT1KMT2A
SCHEMBL12334321 0.84 KDR (0.51) KDRPDGFRBKITFLT1KMT2A
SCHEMBL12305993 0.83 KDR (0.49) KDRPDGFRBKITFLT1KMT2A

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 KDR 432/4885PDGFRB 2247/4885KIT 3731/4885

“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.