SCHEMBL5233620

SCHEMBL5233620

COc1ccccc1C(=O)Nc1c(C)nn([C@H]2CC[C@H](C)CC2)c1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
EGFR P00533 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 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
SCHEMBL5233613 1.00 KMT2A (0.48) KMT2AMEN1MAPTTP53SMN1; SMN2
SCHEMBL5236948 1.00 KMT2A (0.48) KMT2AMEN1MAPTTP53SMN1; SMN2
SCHEMBL5233570 0.91 KMT2A (0.47) KMT2AMEN1MAPTSMN1; SMN2NPSR1
SCHEMBL5233782 0.80 USP2 (0.48) KMT2AMEN1MAPTTP53SMN1; SMN2
SCHEMBL5233614 0.80 EGFR (0.47) KMT2AMEN1MAPTTP53EGFR
SCHEMBL5238446 0.75 PDE7A (0.46) KMT2AMEN1MAPTNPSR1NPC1
SCHEMBL5234044 0.73 NPC1 (0.47) KMT2AMEN1NPC1RAB9A
SCHEMBL5232285 0.71 PKM (0.44) MAPTSMN1; SMN2NPC1RAB9AEGFR
SCHEMBL14395366 0.71 TERT (0.42) KMT2AMEN1MAPTTP53SMN1; SMN2
SCHEMBL5235685 0.69 HPGD (0.34) ALDH1A1

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 5 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-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 KMT2A 4007/4885MEN1 4100/4885MAPT 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.