SCHEMBL2773141

SCHEMBL2773141

CCc1cc2c(=O)n(-c3ccc(OC)nn3)c(=O)[nH]c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
POLB P06746 2/20 0.47
CYP2C9 P11712 2/20 0.47
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
QPCT Q16769 2/20 0.38
SMN1; SMN2 Q16637 5/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 4/20 0.35
RXFP1 Q9HBX9 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TMIGD3 P0DMS9 3/20 0.33
ADORA1 P30542 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
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
SCHEMBL2776283 0.81 CYP2C9 (0.46) HPGDPOLBCYP2C9ALDH1A1LMNA
SCHEMBL29386653 0.78 ERCC1 (0.47) HPGDALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL2774452 0.76 POLB (0.55) HPGDPOLBCYP2C9ALDH1A1LMNA
SCHEMBL29386258 0.76 RXFP1 (0.40) POLBALDH1A1LMNAHTTKDM4E
SCHEMBL2775565 0.75 CYP2C9 (0.47) HPGDPOLBCYP2C9ALDH1A1LMNA
SCHEMBL2775239 0.74 HPGD (0.76) HPGDPOLBCYP2C9ALDH1A1LMNA
SCHEMBL2772949 0.69 AGTR1 (0.67)
SCHEMBL29967050 0.69 MAPT (0.33) HPGDALDH1A1KDM4EMAPTHSD17B10
SCHEMBL2776620 0.68 HPGD (0.43) HPGDPOLBCYP2C9ALDH1A1LMNA
SCHEMBL2773547 0.68 ALDH1A1 (0.52) HPGDPOLBCYP2C9ALDH1A1LMNA

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 HPGD 717/4885POLB 4213/4885CYP2C9 867/4885

“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.