SCHEMBL4192191

SCHEMBL4192191

COc1ccccc1Cc1n[nH]c2c1c(=O)n(-c1cccc(OC(F)(F)F)c1)c1ncccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
AR P10275 1/20 0.42
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE4B Q07343 3/20 0.37
PDE4D Q08499 3/20 0.37
MAPT P10636 1/20 0.36
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
REN P00797 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4C Q08493 2/20 0.33
IDO1 P14902 1/20 0.33
HPD P32754 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
SCHEMBL4195939 0.94 PDE1A (0.41) ADORA2AADORA1ARPDE1APDE1B
SCHEMBL4195974 0.90 PDE1A (0.40) ADORA2AADORA1ARPDE1APDE1B
SCHEMBL4197140 0.90 AR (0.43) ARPDE1APDE1BPDE4BPDE4D
SCHEMBL4187587 0.89 AR (0.43) ADORA2AADORA1ARPDE1APDE1B
SCHEMBL4192024 0.89 PDE1A (0.40) ARPDE1APDE1BPDE4BPDE4D
SCHEMBL2411012 0.87 AR (0.50) ARPDE1APDE1BPDE4BPDE4D
SCHEMBL4197165 0.87 PDE1A (0.51) PDE1APDE1BPDE4BPDE4DMAPT
SCHEMBL4189491 0.87 PDE1A (0.48) ARPDE1APDE1BPDE4BPDE4D
SCHEMBL4183676 0.86 PDE1A (0.40) PDE1APDE1BPDE4BPDE4DMAPT
SCHEMBL4194472 0.86 AR (0.42) ADORA2AADORA1ARPDE1APDE1B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1925617-B1 HETEROCYCLIC COMPOUND, AND PRODUCTION PROCESS AND USE THEREOF ASKA PHARM CO LTD (JP) 2012-11-14 EP claimed
EP-1925617-B1 HETEROCYCLIC COMPOUND, AND PRODUCTION PROCESS AND USE THEREOF ASKA PHARM CO LTD (JP) 2012-11-14 EP disclosed
US-8193356-B2 Heterocycle compound, and production process and application thereof ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-20090131467-A1 Heterocycle Compound, and Production Process and Application Thereof ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-21 US disclosed
EP-1925617-A1 HETEROCYCLIC COMPOUND, AND PRODUCTION PROCESS AND USE THEREOF ASKA Pharmaceutical Co., Ltd. (JP) 2008-05-28 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-20090131467-A1 Heterocycle Compound, and Production Process and Application Thereof PDE3B, PDE4B, PDE7A ADORA2A 2222/4885ADORA1 3152/4885AR 4032/4885

“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.