SCHEMBL2774974

SCHEMBL2774974

O=c1[nH]c2sc(C3CC3)cc2c(=O)n1CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 6/20 0.43
GAA P10253 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MAPT P10636 4/20 0.41
GLA P06280 3/20 0.41

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 0.81 ADORA2B (0.58) ADORA2BSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL2775047 0.80 ADORA2B (0.54) ADORA2BSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL2773663 0.78 ADORA2B (0.52) ADORA2BSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL2773982 0.78 ADORA2B (0.52) ADORA2BSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL2775379 0.77 ADRA1A (0.43) SMN1; SMN2ALDH1A1GAAKDM4EHSD17B10
SCHEMBL6235404 0.74 SMN1; SMN2 (0.52) ADORA2BSMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL2773897 0.74 ADORA2B (0.59) ADORA2BSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL2777323 0.73 POLB (0.52) ADORA2BKMT2AL3MBTL1ALDH1A1GAA
SCHEMBL16637307 0.73 HSD17B10 (0.52) ADORA2BSMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL6976707 0.70 SMN1; SMN2 (0.76) ADORA2BSMN1; SMN2RAB9ANPC1KMT2A

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 1794/4885SMN1; SMN2 2261/4885RAB9A 3399/4885

“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.