SCHEMBL2772610

SCHEMBL2772610

CCc1cc2c(=O)n(Cc3ccccc3)c(=O)[nH]c2s1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.56
POLB P06746 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
AGTR1 P30556 2/20 0.45
QPCT Q16769 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PSMD14 O00487 1/20 0.44
TSHR P16473 1/20 0.44
CYP3A4 P08684 1/20 0.43
PDE1B Q01064 1/20 0.43

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
SCHEMBL2775047 0.87 ADORA2B (0.54) HPGDPOLBCYP2C9ALDH1A1SMN1; SMN2
SCHEMBL2777323 0.85 POLB (0.52) HPGDPOLBCYP2C9ALDH1A1LMNA
SCHEMBL2774317 0.80 HPGD (0.53) HPGDPOLBCYP2C9ALDH1A1KDM4E
SCHEMBL6253161 0.80 HPGD (0.52) HPGDALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL2773982 0.80 ADORA2B (0.52) HPGDPOLBCYP2C9ALDH1A1SMN1; SMN2
SCHEMBL2775239 0.80 HPGD (0.76) HPGDPOLBCYP2C9ALDH1A1KDM4E
SCHEMBL2774219 0.80 ALDH1A1 (0.50) HPGDPOLBCYP2C9ALDH1A1KDM4E
SCHEMBL6513715 0.78 ALDH1A1 (0.50) HPGDPOLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL2774258 0.78 ALDH1A1 (0.54) HPGDPOLBCYP2C9ALDH1A1KDM4E
SCHEMBL2774914 0.76 ALDH1A1 (0.47) HPGDPOLBCYP2C9ALDH1A1KDM4E

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 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.