SCHEMBL4516478

SCHEMBL4516478

O=C1NCC=Nc2[nH]ncc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.32
CDK1 P06493 1/20 0.32
LYN P07948 1/20 0.32
PIM1 P11309 1/20 0.32
FGFR1 P11362 1/20 0.32
PRKACA P17612 1/20 0.32
RPS6KB1 P23443 1/20 0.32
CDK2 P24941 1/20 0.32
MARK3 P27448 1/20 0.32
AKT1 P31749 1/20 0.32
GSK3B P49841 1/20 0.32
RPS6KA3 P51812 1/20 0.32
PRKCZ Q05513 1/20 0.32
PRKCD Q05655 1/20 0.32
ERBB4 Q15303 1/20 0.32
CDC42BPA Q5VT25 1/20 0.32
MARK2 Q7KZI7 1/20 0.32
AKT3 Q9Y243 1/20 0.32
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30

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
SCHEMBL5816913 0.73 AURKA (0.30) AURKACDK1LYNPIM1FGFR1
SCHEMBL8689309 0.66
SCHEMBL17262729 0.65 CDC7 (0.42) CDK1PRKACARPS6KB1CDK2AKT1
SCHEMBL17669977 0.64
SCHEMBL794250 0.64 PARP11 (0.44) CDK1PIM1RPS6KB1GSK3BMAPK13
Hydrochloric Acid SCHEMBL4520957 0.62 JAK2 (0.36)
SCHEMBL184925 0.61
SCHEMBL20919789 0.59 CDC7 (0.45) CDK1PRKACARPS6KB1CDK2AKT1
SCHEMBL18686362 0.59
SCHEMBL19339963 0.59 KDM4E (0.42) CDK2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3551632-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS UNION THERAPEUTICS AS (DK) 2024-06-12 EP disclosed
US-20230139111-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-05-04 US disclosed
US-20220362259-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS UNION therapeutics A/S (DK) 2022-11-17 US disclosed
US-11065257-B2 Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2021-07-20 US disclosed
EP-3551634-B1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP disclosed
US-20200323869-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2020-10-15 US disclosed
US-10793580-B2 Substituted pyrazoloazepin-8-ones and their use as phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2020-10-06 US disclosed
US-20190330223-A1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS UNION therapeutics A/S (DK) 2019-10-31 US disclosed
EP-3551634-A1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2019-10-16 EP disclosed
EP-3551632-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2019-10-16 EP disclosed
WO-2018108910-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2018-06-21 WO disclosed
WO-2018108231-A1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2018-06-21 WO disclosed
US-20090054413-A1 Novel 5,6-Dihydropyrazolo[3,4-E] [L,4]Diazepin-4 (IH) -One Derivatives for the Treatment of Asthma and Chronic Obstructive Pulmonary Disease ASTRAZENECA AB (SE) 2009-02-26 US disclosed
EP-1931672-A1 NOVEL 5,6-DIHYDROPYRAZOLO[3,4-E] [L,4]DIAZEPIN-4 (IH) -ONE DERIVATIVES FOR THE TREATMENT OF ASTHMA AND CHRONIC OBSTRUCTIVE PULMONARY DISEASE. AstraZeneca AB (SE) 2008-06-18 EP disclosed
WO-2007040435-A1 NOVEL 5,6-DIHYDROPYRAZOLO[3,4-E] [L,4]DIAZEPIN-4 (IH) -ONE DERIVATIVES FOR THE TREATMENT OF ASTHMA AND CHRONIC OBSTRUCTIVE PULMONARY DISEASE. ASTRAZENECA AB (SE) 2007-04-12 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 (7 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-20090054413-A1 Novel 5,6-Dihydropyrazolo[3,4-E] [L,4]Diazepin-4 (IH) -One Derivatives for the Treatment of Asthma and Chronic Obstructive Pulmonary Disease PDE4B, PDE4A, PDE12 AURKA 3354/4885CDK1 1825/4885LYN 4077/4885
US-20190330223-A1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PDE12, PDE4A, PDE2A AURKA 2777/4885CDK1 2148/4885LYN 2456/4885
US-20200323869-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE12 AURKA 2590/4885CDK1 2192/4885LYN 2113/4885
US-20220362259-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE12 AURKA 2590/4885CDK1 2192/4885LYN 2113/4885
US-20230139111-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF RIPK1, RIPK4, RIPK3 AURKA 1380/4885CDK1 1237/4885LYN 2732/4885
US-10793580-B2 Substituted pyrazoloazepin-8-ones and their use as phosphodiesterase inhibitors PDE12, PDE4A, PDE2A AURKA 2777/4885CDK1 2148/4885LYN 2456/4885
US-11065257-B2 Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors PDE4A, PDE4B, PDE12 AURKA 2590/4885CDK1 2192/4885LYN 2113/4885

“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.