SCHEMBL17123792

SCHEMBL17123792

c1ccc2nc(OC3CNC3)cnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 8/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PDE10A Q9Y233 2/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDGFRB P09619 2/20 0.40
PDGFRA P16234 2/20 0.40
KDM4E B2RXH2 1/20 0.39

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
Hydrochloric Acid SCHEMBL14861677 0.98 HTT (0.47) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL2723948 0.88 CHRNB2 (0.48) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL2722697 0.88 CHRNB2 (0.48) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL5516149 0.83 HTT (0.45) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL14873973 0.78 HTT (0.46) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL8261911 0.77 MEN1 (0.43) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL29586878 0.76 HTT (0.45) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL5993997 0.74 HTT (0.38) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL5510109 0.74 HTT (0.38) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL5509738 0.74 HTT (0.38) HTTALDH1A1MEN1KMT2ARAB9A

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
US-9993477-B2 Substituted imidazo[1,5-a]pyrazines as PDE9 inhibitors H. LUNDBECK A/S (DK) 2018-06-12 US disclosed
US-20170173018-A1 SUBSTITUTED IMIDAZO[1,5-a]PYRAZINES AS PDE9 INHIBITORS SUNDIA MEDITECH COMPANY, LTD. (CN) 2017-06-22 US disclosed
US-9643970-B2 Substituted imidazo [1,5-a]pyrazines as PDE9 inhibitors H. LUNDBECK A/S (DK) 2017-05-09 US disclosed
EP-3121178-A1 PDE9 INHIBITOR WITH IMIDAZO PYRAZINONE BACKBONE H. Lundbeck A/S (DK) 2017-01-25 EP disclosed
US-20150274736-A1 PDE9i with imidazo pyrazinone backbone SUNDIA MEDITECH COMPANY, LTD. (CN) 2015-10-01 US 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 (2 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-20150274736-A1 PDE9i with imidazo pyrazinone backbone PDE9A, PDE5A, PDE12 HTT 382/4885ALDH1A1 573/4885MEN1 3747/4885
US-20170173018-A1 SUBSTITUTED IMIDAZO[1,5-a]PYRAZINES AS PDE9 INHIBITORS PDE9A, PDE12, PDE5A HTT 363/4885ALDH1A1 295/4885MEN1 3932/4885

“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.