SCHEMBL2774265

SCHEMBL2774265

CCc1cc2c(=O)n(Cc3ccc(OC)cc3OC)c(=O)n(Cc3ccc(-c4ccccc4C#N)cc3Br)c2s1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 19/20 0.65
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45

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
SCHEMBL2773783 0.91 AGTR1 (0.65) AGTR1USP2ALDH1A1LMNACYP1A2
SCHEMBL2773484 0.91 AGTR1 (0.64) AGTR1
SCHEMBL2773764 0.85 AGTR1 (0.76) AGTR1
SCHEMBL2774775 0.82 AGTR1 (0.53) AGTR1USP2ALDH1A1LMNACYP1A2
SCHEMBL2772002 0.80 AGTR1 (0.57) AGTR1USP2ALDH1A1LMNACYP1A2
SCHEMBL2774833 0.79 AGTR1 (0.56) AGTR1USP2ALDH1A1LMNACYP1A2
SCHEMBL2776340 0.79 AGTR1 (0.68) AGTR1
SCHEMBL2775075 0.79 AGTR1 (0.76) AGTR1
SCHEMBL2776206 0.79 AGTR1 (1.00) AGTR1USP2ALDH1A1LMNACYP1A2
SCHEMBL2774300 0.78 AGTR1 (0.76) AGTR1

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 9 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
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 AGTR1 99/4885USP2 4874/4885ALDH1A1 1296/4885

“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.