SCHEMBL5228798

SCHEMBL5228798

Cc1nn(C2CCCCC2)c(C#N)c1NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PDE7A Q13946 6/20 0.40
P2RY14 Q15391 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5233784 0.85 KMT2A (0.48) LMNASMN1; SMN2KMT2APDE7AALDH1A1
SCHEMBL1815100 0.74 ALDH1A1 (0.39) HTTPDE7AALDH1A1POLBMAPT
SCHEMBL5237146 0.71 PDE7A (0.43) LMNAHTTSMN1; SMN2GAAPDE7A
SCHEMBL13452977 0.69 ABCG2 (0.45) HTTRAB9ANPC1MEN1KMT2A
SCHEMBL853423 0.68 PDE7A (0.77) PDE7A
SCHEMBL5238446 0.67 PDE7A (0.46) LMNAHTTRAB9ANPC1MEN1
SCHEMBL9835734 0.65 KMT2A (0.66) LMNARAB9ASMN1; SMN2NPC1MEN1
SCHEMBL7367686 0.65 RORC (0.63) LMNAHTTRAB9ASMN1; SMN2GAA
SCHEMBL18585517 0.64 SMN1; SMN2 (0.62) LMNAHTTRAB9ASMN1; SMN2GAA
SCHEMBL30583807 0.64 NPC1 (0.62) RAB9AGAANPC1MEN1KMT2A

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 7 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
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 LMNA 4228/4885HTT 4758/4885RAB9A 700/4885

“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.