SCHEMBL17123788

SCHEMBL17123788

COc1nc(C)cnc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP8 P40818 3/20 0.40
RECQL P46063 2/20 0.40
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CCR4 P51679 1/20 0.33
USP7 Q93009 2/20 0.33
SQOR Q9Y6N5 2/20 0.33
HPGDS O60760 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
MAP4K1 Q92918 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL23700104 0.85 USP8 (0.40) USP8RECQLPOLBTSHRMAPK1
SCHEMBL620504 0.79 USP8 (0.42) USP8RECQLKDM4EMAP4K1
SCHEMBL20095136 0.79 USP8 (0.39) USP8RECQLPOLBGAAHPGD
SCHEMBL1617515 0.77 MAPT (0.37) USP8RECQLPOLBGAAHPGD
SCHEMBL20106531 0.77 CHEK1 (0.40) USP8MAP4K1
SCHEMBL7576503 0.75 KDM4E (0.34) RECQLPOLBHPGDKDM4EALDH1A1
SCHEMBL15233567 0.74 CCR4 (0.38) RECQLHPGDCCR4SQORKDM4E
SCHEMBL18185851 0.74 MAPK8 (0.43) USP8MAPK1GAAHPGDMAP4K1
SCHEMBL10220596 0.73 CHEK1 (0.43) MAP4K1
SCHEMBL4497174 0.73 CCR4 (0.37) RECQLHPGDCYP1A2CYP2C19CCR4

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11472810-B2 Imidazopyrazinones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2022-10-18 US disclosed
US-20210238182-A1 IMIDAZOPYRAZINONES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2021-08-05 US disclosed
US-20210238182-A1 IMIDAZOPYRAZINONES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2021-08-05 US disclosed
US-10912773-B2 Combinations comprising substituted imidazo[1,5-a]pyrazinones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2021-02-09 US disclosed
US-10905688-B2 Combinations comprising substituted imidazo[1,5-α]pyrazinones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2021-02-02 US disclosed
US-10858362-B2 Imidazopyrazinones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2020-12-08 US disclosed
US-10858362-B2 Imidazopyrazinones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2020-12-08 US disclosed
EP-3532064-B1 COMBINATION TREATMENTS COMPRISING IMIDAZOPYRAZINONES FOR THE TREATMENT OF PSYCHIATRIC AND/OR COGNITIVE DISORDERS H LUNDBECK AS (DK) 2020-07-29 EP disclosed
US-20190282572-A1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF IMIDAZOPYRAZINONES H. LUNDBECKA/S (DK) 2019-09-19 US disclosed
US-20190282571-A1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF IMIDAZOPYRAZINONES H. LUNDBECK A/S (DK) 2019-09-19 US disclosed
US-20170291903-A1 Imidazopyrazinones as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2017-10-12 US disclosed
US-20170291903-A1 Imidazopyrazinones as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2017-10-12 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
US-20160318939-A1 Imidazopyrazinones as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2016-11-03 US disclosed
US-20160318939-A1 Imidazopyrazinones as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2016-11-03 US disclosed
US-20160318939-A1 Imidazopyrazinones as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2016-11-03 US disclosed
WO-2016174188-A1 IMIDAZOPYRAZINONES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2016-11-03 WO disclosed
WO-2016174188-A1 IMIDAZOPYRAZINONES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2016-11-03 WO 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 (11 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-20190282571-A1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF IMIDAZOPYRAZINONES PDE12, PDE1B, PDE1A USP8 2555/4885RECQL 360/4885POLB 1527/4885
US-20160318939-A1 Imidazopyrazinones as PDE1 Inhibitors PDE12, PDE4A, PDE5A USP8 2264/4885RECQL 1404/4885POLB 2748/4885
US-10858362-B2 Imidazopyrazinones as PDE1 inhibitors PDE12, PDE4A, PDE5A USP8 2264/4885RECQL 1404/4885POLB 2748/4885
US-20150274736-A1 PDE9i with imidazo pyrazinone backbone PDE9A, PDE5A, PDE12 USP8 2314/4885RECQL 768/4885POLB 1449/4885
US-20170173018-A1 SUBSTITUTED IMIDAZO[1,5-a]PYRAZINES AS PDE9 INHIBITORS PDE9A, PDE12, PDE5A USP8 2291/4885RECQL 1199/4885POLB 1981/4885
US-20210238182-A1 IMIDAZOPYRAZINONES AS PDE1 INHIBITORS PDE12, PDE4A, PDE5A USP8 2264/4885RECQL 1404/4885POLB 2748/4885
US-20170291903-A1 Imidazopyrazinones as PDE1 Inhibitors PDE12, PDE4A, PDE5A USP8 2264/4885RECQL 1404/4885POLB 2748/4885
US-11472810-B2 Imidazopyrazinones as PDE1 inhibitors PDE12, PDE4A, PDE5A USP8 2264/4885RECQL 1404/4885POLB 2748/4885
US-10912773-B2 Combinations comprising substituted imidazo[1,5-a]pyrazinones as PDE1 inhibitors PDE5A, PDE3A, PDE12 USP8 3404/4885RECQL 216/4885POLB 1167/4885
US-10905688-B2 Combinations comprising substituted imidazo[1,5-α]pyrazinones as PDE1 inhibitors PDE1A, PDE12, PDE1B USP8 2915/4885RECQL 711/4885POLB 1270/4885
US-20190282572-A1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF IMIDAZOPYRAZINONES PDE12, PDE4A, PDE1A USP8 3007/4885RECQL 172/4885POLB 1685/4885

“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.