SCHEMBL21578136

SCHEMBL21578136

Cc1cn2c(CNC(=O)OC(C)(C)C)cccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.42
BRD4 O60885 3/20 0.40
PCSK9 Q8NBP7 1/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
METTL3 Q86U44 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
NAMPT P43490 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7868724 0.79 BRD4 (0.50) KDM4ABRD4PCSK9PIM1PIM2
SCHEMBL28842744 0.79 RAB9A (0.51) KDM4ABRD4PIM1PIM2METTL3
SCHEMBL28842879 0.76 METTL3 (0.45) KDM4ABRD4METTL3POLBMAPK1
SCHEMBL20322351 0.74 TBXAS1 (0.48) KDM4ABRD4NAMPT
SCHEMBL28953205 0.73 ALDH1A1 (0.48) KDM4ABRD4PCSK9PIM1PIM2
SCHEMBL28842861 0.73 METTL3 (0.43) KDM4ABRD4PCSK9PIM1PIM2
SCHEMBL112919 0.72 NPSR1 (0.49) KDM4APOLBMAPK1ATML3MBTL1
SCHEMBL28842844 0.72 METTL3 (0.43) KDM4AMETTL3POLBMAPK1ATM
SCHEMBL7871598 0.71 GAA (0.38) MAPK1HSD17B10KDM4E
SCHEMBL22366516 0.70 KDM4E (0.61) METTL3HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689379-B2 Pyrazolo[3,4-B]pyridines and imidazo[1,5-B]pyridazines as PDE1 inhibitors H. LUNDBECK A/S (DK) 2020-06-23 US disclosed
US-20190352302-A1 PYRAZOLO[3,4-B]PYRIDINES AND IMIDAZO[1,5-B]PYRIDAZINES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2019-11-21 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-20190352302-A1 PYRAZOLO[3,4-B]PYRIDINES AND IMIDAZO[1,5-B]PYRIDAZINES AS PDE1 INHIBITORS PDE5A, PDE12, PDE3A KDM4A 836/4885BRD4 842/4885PCSK9 1876/4885
US-10689379-B2 Pyrazolo[3,4-B]pyridines and imidazo[1,5-B]pyridazines as PDE1 inhibitors PDE5A, PDE12, PDE3A KDM4A 836/4885BRD4 842/4885PCSK9 1876/4885

“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.