SCHEMBL12333393

SCHEMBL12333393

Cc1ccc(NC(=O)Cc2ccsc2)cc1Oc1ccc2nc(NC(=O)C3CC3)sc2n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDR P35968 6/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
FLT1 P17948 1/20 0.47
KMT2A Q03164 4/20 0.44
RIPK1 Q13546 3/20 0.44
RIPK3 Q9Y572 3/20 0.44
BRAF P15056 4/20 0.44
ABL1 P00519 1/20 0.42
MEN1 O00255 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 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
SCHEMBL2458569 0.86 RAB9A (0.49) RAB9ANPC1SMN1; SMN2KDRPDGFRB
SCHEMBL2860133 0.85 KDR (0.55) RAB9ANPC1SMN1; SMN2KDRPDGFRB
SCHEMBL2452680 0.83 KDR (0.49) RAB9AKDRPDGFRBKITFLT1
SCHEMBL2454755 0.83 KDR (0.49) RAB9ANPC1SMN1; SMN2KDRPDGFRB
SCHEMBL2453000 0.82 KDR (0.52) RAB9ANPC1SMN1; SMN2KDRPDGFRB
SCHEMBL2458127 0.82 KDR (0.50) RAB9ASMN1; SMN2KDRPDGFRBKIT
SCHEMBL2454652 0.82 RAB9A (0.54) RAB9ANPC1SMN1; SMN2KDRPDGFRB
SCHEMBL2452898 0.81 KDR (0.49) RAB9ANPC1SMN1; SMN2KDRPDGFRB
SCHEMBL2450603 0.81 KDR (0.55) RAB9ANPC1SMN1; SMN2KDRPDGFRB
SCHEMBL2450659 0.80 KDR (0.54) RAB9ANPC1SMN1; SMN2KDRPDGFRB

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 3 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

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 1543/4885NPC1 2884/4885SMN1; SMN2 4076/4885

“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.