SCHEMBL5229548

SCHEMBL5229548

CCn1nc(C2CCCCC2)c(C#N)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
GALR3 O60755 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.34
CTSK P43235 7/20 0.33
CTSS P25774 2/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CCNA1 P78396 2/20 0.33
RAPGEF4 Q8WZA2 4/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 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
SCHEMBL5236933 0.80 ALDH1A1 (0.36) PKMALDH1A1MEN1GALR3CYP1A2
SCHEMBL1813384 0.80 ALDH1A1 (0.36) PKMALDH1A1MEN1GALR3CYP1A2
SCHEMBL6882252 0.79 TSHR (0.59) ALDH1A1TSHRRAPGEF4KDM4EMAPK1
SCHEMBL14407691 0.78 MEN1 (0.34) MEN1MAPTKMT2A
SCHEMBL31735560 0.75 CHEK1 (0.36) PKMALDH1A1MEN1GALR3CYP1A2
SCHEMBL14412255 0.73 HRH2 (0.31)
SCHEMBL5236264 0.72 RET (0.40) ALDH1A1MEN1CYP2C19KMT2A
SCHEMBL11545681 0.72 TSHR (0.41) ALDH1A1MEN1MAPTKMT2ATSHR
SCHEMBL31735859 0.71 PKM (0.38) PKMALDH1A1MEN1MAPTKMT2A
SCHEMBL7302490 0.71 TSHR (0.59) ALDH1A1MEN1MAPTKMT2ATSHR

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 9 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
CN-1264843-C Pyrazolopyrimidinone derivatives having PDE7 inhibitory action DAIICHI SUNTORY PHARMACEUTICAL (JP) 2006-07-19 CN disclosed
US-20050148604-A1 Pyrazolopyrimidinone derivatives having PDE7 inhibiting action OMEROS CORPORATION 2005-07-07 US disclosed
CN-1533392-A Pyrazolopgrimidinone derivatives having PED 7 inhibitory activity ��һ��������ҩ��ʽ���� 2004-09-29 CN 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 PKM 649/4885ALDH1A1 711/4885MEN1 4100/4885

“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.