SCHEMBL2453113

SCHEMBL2453113

O=C(Nc1nc2ccc(Cl)nc2s1)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
NPC1 O15118 8/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.51
ABL1 P00519 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
GFER P55789 1/20 0.48
AHR P35869 1/20 0.48
BRAF P15056 1/20 0.48
DYRK1A Q13627 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LCK P06239 1/20 0.47

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
SCHEMBL2854364 0.83 CASP3 (0.54) CASP3SENP8SENP7SENP6MEN1
SCHEMBL31119786 0.82 IRAK4 (0.43) CASP3SENP8SENP7SENP6MEN1
SCHEMBL22392573 0.82 IRAK4 (0.43) CASP3SENP8SENP7SENP6MEN1
SCHEMBL1622215 0.81 DYRK1A (0.58) NPC1RAB9ASMN1; SMN2MAPTDYRK1A
SCHEMBL3718475 0.76 NPC1 (0.59) CASP3SENP8SENP7SENP6MEN1
SCHEMBL30391011 0.75 LCK (0.53) BRAFLCK
SCHEMBL22406193 0.75 LCK (0.53) BRAFLCK
SCHEMBL3710272 0.75 P2RY1 (0.41) CASP3SENP8SENP7SENP6MEN1
SCHEMBL2454813 0.74 BRAF (0.59) CASP3SENP8SENP7SENP6MEN1
SCHEMBL23797951 0.74 DYRK1A (0.49) CASP3SENP8SENP7SENP6MEN1

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 8 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-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 CASP3 1677/4885SENP8 1396/4885SENP7 1451/4885
US-20110237620-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NR3C2, RAF1 CASP3 2396/4885SENP8 3810/4885SENP7 4035/4885

“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.