SCHEMBL5230106

SCHEMBL5230106

CC1CCC(=NNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
KMT2A Q03164 1/20 0.69
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.38
KDM4E B2RXH2 4/20 0.37
RAB9A P51151 1/20 0.37
MIF P14174 1/20 0.37
MAPT P10636 2/20 0.36

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
SCHEMBL4861309 0.86 ALDH1A1 (0.68) ALDH1A1KMT2ASMN1; SMN2TP53KDM4E
SCHEMBL272269 0.83 ALDH1A1 (0.63) ALDH1A1KMT2ASMN1; SMN2KDM4ERAB9A
SCHEMBL573354 0.83 ALDH1A1 (0.63) ALDH1A1KMT2AKDM4ERAB9AMIF
SCHEMBL182243 0.81 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4ERAB9A
SCHEMBL12779155 0.81 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4ERAB9A
SCHEMBL1785423 0.79 ALDH1A1 (0.59) ALDH1A1KMT2AKDM4ERAB9AMAPT
SCHEMBL3490122 0.79 ALDH1A1 (0.58) ALDH1A1KMT2ASMN1; SMN2KDM4ERAB9A
SCHEMBL1406859 0.79 KMT2A (0.58) ALDH1A1KMT2ASMN1; SMN2KDM4ERAB9A
SCHEMBL2672312 0.79 KMT2A (0.58) ALDH1A1KMT2ASMN1; SMN2KDM4ERAB9A
SCHEMBL18988723 0.79 ALDH1A1 (0.66) ALDH1A1KMT2AKDM4ERAB9AMAPT

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 ALDH1A1 711/4885KMT2A 4007/4885CYP2C19 953/4885

“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.