SCHEMBL2777526

SCHEMBL2777526

CCCc1cc2c(=O)n(CCN3CCOCC3)c(=O)[nH]c2s1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.46
IMPDH2 P12268 1/20 0.45
HSD17B10 Q99714 4/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
ALDH1A1 P00352 6/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
AGTR1 P30556 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
SCHEMBL2773068 0.92 ALDH1A1 (0.49) MAPK1IMPDH2HSD17B10ADRA1AADRA1B
SCHEMBL2775955 0.81 ADRA1B (0.44) MAPK1IMPDH2HSD17B10ADRA1AADRA1B
SCHEMBL2775379 0.80 ADRA1A (0.43) MAPK1IMPDH2HSD17B10ADRA1AADRA1B
SCHEMBL2773982 0.79 ADORA2B (0.52) HSD17B10ADRA1AADRA1BMEN1KMT2A
SCHEMBL2774258 0.75 ALDH1A1 (0.54) HSD17B10MEN1KMT2AALDH1A1LMNA
SCHEMBL2775047 0.71 ADORA2B (0.54) HSD17B10MEN1KMT2AALDH1A1LMNA
SCHEMBL2773547 0.70 ALDH1A1 (0.52) MAPK1HSD17B10KMT2AALDH1A1LMNA
SCHEMBL2777323 0.69 POLB (0.52) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL2775229 0.68 AGTR1 (0.51) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL2774914 0.68 ALDH1A1 (0.47) HSD17B10ADRA1AADRA1BMEN1KMT2A

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 MAPK1 888/4885IMPDH2 2858/4885HSD17B10 81/4885

“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.