SCHEMBL620504

SCHEMBL620504

COc1nc(N)cnc1C#N

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP8 P40818 2/20 0.42
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
PIK3CD O00329 1/20 0.37
MAP4K1 Q92918 7/20 0.36
RECQL P46063 1/20 0.35
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL17123788 0.79 USP8 (0.40) USP8MAP4K1RECQLKDM4E
SCHEMBL15142766 0.79 PIK3CD (0.40) USP8ALOX5APFEN1PIK3CDCLK4
SCHEMBL20095136 0.78 USP8 (0.39) USP8MAP4K1RECQLKDM4E
SCHEMBL12984697 0.77 CDK1 (0.43) USP8KDM4E
SCHEMBL11032347 0.76 PIK3CD (0.43) USP8ALOX5APFEN1PIK3CDCLK4
SCHEMBL20106531 0.75 CHEK1 (0.40) USP8MAP4K1MAPK8MAPK9
SCHEMBL5642222 0.75 CDK1 (0.38) USP8PIK3CDADORA1
SCHEMBL1397037 0.75 CHEK1 (0.45) ALOX5APFEN1
SCHEMBL13745097 0.74 PIK3CA (0.35) PIK3CDRECQLP2RX3P2RX2
SCHEMBL1397487 0.74 CHEK1 (0.57) MAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3865484-B1 PDE9 INHIBITOR WITH IMIDAZO PYRAZINONE BACKBONE FOR TREATMENT OF PERIPHERAL DISEASES H LUNDBECK AS (DK) 2023-11-08 EP disclosed
US-20230183255-A1 PDE9 INHIBITORS WITH IMIDAZO TRIAZINONE BACKBONE AND IMIDAZO PYRAZINONE BACKBONE FOR TREATMENT OF PERIPHERAL DISEASES H. LUNDBECK A/S (DK) 2023-06-15 US disclosed
US-11472810-B2 Imidazopyrazinones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2022-10-18 US disclosed
EP-3865484-A1 PDE9 INHIBITOR WITH IMIDAZO PYRAZINONE BACKBONE FOR TREATMENT OF PERIPHERAL DISEASES H. Lundbeck A/S (DK) 2021-08-18 EP 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-20210094960-A1 PDE9 INHIBITORS WITH IMIDAZO TRIAZINONE BACKBONE AND IMIDAZO PYRAZINONE BACKBONE FOR TREATMENT OF PERIPHERAL DISEASES H. LUNDBECK A/S (DK) 2021-04-01 US disclosed
US-20210085684-A1 PDE9 INHIBITORS FOR TREATMENT OF PERIPHERAL DISEASES CARDURION PHARMACEUTICALS, INC. 2021-03-25 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-10912773-B2 Combinations comprising substituted imidazo[1,5-a]pyrazinones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2021-02-09 US disclosed
US-20100331328-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-30 US disclosed
US-20100331328-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-30 US disclosed
US-20100311730-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-09 US disclosed
US-20100311730-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-09 US disclosed
US-20100311730-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-09 US disclosed
EP-2197874-A1 PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-06-23 EP disclosed
WO-2009103966-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-08-27 WO disclosed
WO-2009103966-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-08-27 WO disclosed
WO-2009044162-A1 PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-09 WO disclosed
WO-2009044162-A1 PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-09 WO 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 (8 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-20210085684-A1 PDE9 INHIBITORS FOR TREATMENT OF PERIPHERAL DISEASES PDE9A, PDE12, PDE5A USP8 3771/4885ALOX5AP 2256/4885FEN1 678/4885
US-20210238182-A1 IMIDAZOPYRAZINONES AS PDE1 INHIBITORS PDE12, PDE4A, PDE5A USP8 2264/4885ALOX5AP 3416/4885FEN1 946/4885
US-20230183255-A1 PDE9 INHIBITORS WITH IMIDAZO TRIAZINONE BACKBONE AND IMIDAZO PYRAZINONE BACKBONE FOR TREATMENT OF PERIPHERAL DISEASES PDE9A, PDE5A, PDE3A USP8 3139/4885ALOX5AP 3022/4885FEN1 2000/4885
US-20100311730-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CHEK1, CHEK2, BUB1B USP8 3838/4885ALOX5AP 4463/4885FEN1 326/4885
US-11472810-B2 Imidazopyrazinones as PDE1 inhibitors PDE12, PDE4A, PDE5A USP8 2264/4885ALOX5AP 3416/4885FEN1 946/4885
US-10912773-B2 Combinations comprising substituted imidazo[1,5-a]pyrazinones as PDE1 inhibitors PDE5A, PDE3A, PDE12 USP8 3404/4885ALOX5AP 3146/4885FEN1 599/4885
US-20100331328-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CHEK1, CHEK2, BUB1B USP8 3079/4885ALOX5AP 4727/4885FEN1 431/4885
US-20210094960-A1 PDE9 INHIBITORS WITH IMIDAZO TRIAZINONE BACKBONE AND IMIDAZO PYRAZINONE BACKBONE FOR TREATMENT OF PERIPHERAL DISEASES PDE9A, PDE5A, PDE3A USP8 3139/4885ALOX5AP 3022/4885FEN1 2000/4885

“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.