SCHEMBL5233563

SCHEMBL5233563

Cc1nn([C@H]2CC[C@H](C)CC2)c(C(N)=O)c1NC(=O)c1ccc(N2CCN(C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
HDAC3 O15379 5/20 0.45
HDAC8 Q9BY41 5/20 0.45
KDM1A O60341 4/20 0.45
MAOA P21397 4/20 0.45
MAOB P27338 4/20 0.45
KDM1B Q8NB78 4/20 0.45
RCOR1 Q9UKL0 4/20 0.45
PDE7A Q13946 3/20 0.45
F10 P00742 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5234044 1.00 NPC1 (0.47) NPC1RAB9AHDAC3HDAC8KDM1A
SCHEMBL5233552 1.00 NPC1 (0.47) NPC1RAB9AHDAC3HDAC8KDM1A
SCHEMBL5233410 0.91 PDE7A (0.54) NPC1RAB9AHDAC3HDAC8KDM1A
SCHEMBL5233620 0.73 KMT2A (0.48) NPC1RAB9AMEN1KMT2A
SCHEMBL14548081 0.70 PDE7A (0.85) PDE7A
SCHEMBL5232035 0.68 HPGD (0.34) PDE7A
SCHEMBL5235685 0.68 HPGD (0.34) PDE7A
SCHEMBL6132283 0.68 MEN1 (0.55) HDAC3HDAC8MEN1KMT2A
SCHEMBL1397464 0.67 CHEK1 (0.69) NPC1RAB9AHDAC3HDAC8KMT2A
SCHEMBL13699752 0.67 NPC1 (0.55) NPC1RAB9AHDAC3HDAC8KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1454897-B1 PYRAZOLOPYRIMIDINONE DERIVATIVES HAVING PDE7-INHIBITORY ACTIVITY ASUBIO PHARMA CO LTD (JP) 2007-10-10 EP disclosed
US-7268128-B2 1,3,5-trisubstituted-5-phenyl and 5-pyridyl pyrazolopyrimidinone derivatives having PDE7 inhibiting action AUSBIO PHARMA CO., LTD. (JP) 2007-09-11 US disclosed
US-7268128-B2 1,3,5-trisubstituted-5-phenyl and 5-pyridyl pyrazolopyrimidinone derivatives having PDE7 inhibiting action AUSBIO PHARMA CO., LTD. (JP) 2007-09-11 US disclosed
US-7268128-B2 1,3,5-trisubstituted-5-phenyl and 5-pyridyl pyrazolopyrimidinone derivatives having PDE7 inhibiting action AUSBIO PHARMA CO., LTD. (JP) 2007-09-11 US disclosed
US-20050148604-A1 Pyrazolopyrimidinone derivatives having PDE7 inhibiting action OMEROS CORPORATION 2005-07-07 US disclosed
EP-1454897-A1 PYRAZOLOPYRIMIDINONE DERIVATIVES HAVING PDE7−INHIBITORY ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-09-08 EP 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 (1 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-20050148604-A1 Pyrazolopyrimidinone derivatives having PDE7 inhibiting action PDE7B, PDE3B, PDE3A NPC1 4558/4885RAB9A 700/4885HDAC3 1946/4885

“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.