SCHEMBL5234596

SCHEMBL5234596

Cc1nn(C2CCC(C)CC2)c(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 1/20 0.38
MAPT P10636 5/20 0.36
ALDH1A1 P00352 6/20 0.36
CTPS1 P17812 1/20 0.36
POLB P06746 3/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5234603 1.00 SMN1; SMN2 (0.39) SMN1; SMN2PKMMAPTALDH1A1CTPS1
SCHEMBL5237564 1.00 SMN1; SMN2 (0.39) SMN1; SMN2PKMMAPTALDH1A1CTPS1
SCHEMBL1810376 0.88 HPGD (0.40) SMN1; SMN2PKMMAPTALDH1A1POLB
SCHEMBL28459102 0.81 MAPT (0.43) SMN1; SMN2PKMMAPTALDH1A1POLB
SCHEMBL5232035 0.80 HPGD (0.34) ALDH1A1HPGD
SCHEMBL5235685 0.80 HPGD (0.34) ALDH1A1HPGD
SCHEMBL5232038 0.80 HPGD (0.34) ALDH1A1HPGD
SCHEMBL5231732 0.77 PKM (0.38) SMN1; SMN2PKMMAPTALDH1A1POLB
SCHEMBL21061153 0.76 MAPT (0.40) MAPTALDH1A1POLBMAPK1MEN1
SCHEMBL1608919 0.73 SMN1; SMN2 (0.61) SMN1; SMN2PKMMAPTALDH1A1POLB

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 4 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-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 SMN1; SMN2 4062/4885PKM 649/4885MAPT 4356/4885

“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.