SCHEMBL2773487

SCHEMBL2773487

COc1sc2[nH]c(=O)n([C@@H](C)c3ccccc3)c(=O)c2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.37
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BRD4 O60885 3/20 0.35
BRD2 P25440 3/20 0.35
BRD3 Q15059 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 2/20 0.35
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
FAAH O00519 1/20 0.34
MET P08581 1/20 0.34
USP1 O94782 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL2775241 1.00 MAPK1 (0.37) MAPK1LMNAKDM4EMEN1CASP1
SCHEMBL2772942 0.76 ALDH1A1 (0.54) LMNAKDM4EMEN1KMT2ANPSR1
SCHEMBL7030153 0.76 KMT2A (0.41) MAPK1MEN1KMT2ANPSR1CYP2C9
SCHEMBL4772753 0.66 DCTPP1 (0.47) MAPK1LMNAKDM4EMEN1CASP1
SCHEMBL4223178 0.65 CA12 (0.52) MAPK1LMNAKDM4EMEN1KMT2A
SCHEMBL4211685 0.65 CA12 (0.52) MAPK1LMNAKDM4EMEN1KMT2A
SCHEMBL4770756 0.64 CYP3A4 (0.50) MAPK1LMNAKDM4EMEN1CASP1
SCHEMBL3375565 0.64 CYP2D6 (0.44) LMNAKDM4EMEN1CASP1KMT2A
SCHEMBL28961751 0.64 MAPK1 (0.42) MAPK1LMNAKDM4EMEN1CASP1
SCHEMBL14828721 0.62 POLB (0.70) MAPK1MEN1KMT2AMETUSP1

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
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
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

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 888/4885LMNA 552/4885KDM4E 1815/4885

“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.