SCHEMBL2773663

SCHEMBL2773663

CC(C)c1cc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.52
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 4/20 0.43
ADORA3 P0DMS8 2/20 0.43
MEN1 O00255 2/20 0.42
MCOLN3 Q8TDD5 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
THRB P10828 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL2774966 0.84 ADORA2B (0.58) ADORA2BRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL2775047 0.82 ADORA2B (0.54) ADORA2BRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL2773982 0.81 ADORA2B (0.52) ADORA2BRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL2774974 0.78 ADORA2B (0.49) ADORA2BRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL2777323 0.78 POLB (0.52) ADORA2BKMT2AL3MBTL1ADORA3MEN1
SCHEMBL6235404 0.77 SMN1; SMN2 (0.52) ADORA2BRAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL2775955 0.76 ADRA1B (0.44) MAPTALDH1A1HSD17B10ADRA1AADRA1B
SCHEMBL16637307 0.75 HSD17B10 (0.52) ADORA2BRAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL2773897 0.74 ADORA2B (0.59) ADORA2BRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL2775229 0.72 AGTR1 (0.51) ADORA2BKMT2AMAPTMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501750-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501750-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501750-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
EP-2253630-A1 Heterocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
EP-2253630-A1 Heterocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-20100137281-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
US-20100137281-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
US-20100137281-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
EP-2151440-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-02-10 EP disclosed
EP-2151440-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-02-10 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 (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-20100137281-A1 HETEROCYCLIC COMPOUND AND USE THEREOF PCSK9, APOB, REN ADORA2B 1794/4885RAB9A 3399/4885NPC1 118/4885

“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.