SCHEMBL6207754

SCHEMBL6207754

CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.71
PKM P14618 2/20 0.71
TSHR P16473 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.67
APOBEC3A P31941 3/20 0.66
APOBEC3G Q9HC16 3/20 0.66
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
OPRM1 P35372 1/20 0.64
OPRD1 P41143 1/20 0.64
MEN1 O00255 1/20 0.60
PABPC1 P11940 1/20 0.60
KDM4E B2RXH2 1/20 0.58

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
SCHEMBL396705 0.85 KMT2A (0.77) KMT2APKMTSHRL3MBTL1RAB9A
SCHEMBL395198 0.84 KMT2A (0.75) KMT2APKMTSHRL3MBTL1RAB9A
SCHEMBL3921818 0.83 TSHR (0.97) KMT2APKMTSHRL3MBTL1MEN1
SCHEMBL6646760 0.83 KMT2A (0.67) KMT2APKMTSHRAPOBEC3AAPOBEC3G
SCHEMBL396774 0.83 POLB (0.70) KMT2APKMTSHRL3MBTL1MEN1
SCHEMBL1708867 0.82 TSHR (1.00) KMT2APKMTSHRL3MBTL1MEN1
SCHEMBL5875707 0.81 KMT2A (0.71) KMT2APKMTSHRAPOBEC3AAPOBEC3G
SCHEMBL6330574 0.81 KMT2A (0.58) KMT2APKMTSHRAPOBEC3AAPOBEC3G
SCHEMBL4715140 0.80 TSHR (0.71) KMT2APKMTSHRL3MBTL1MEN1
SCHEMBL5469321 0.80 ALDH1A1 (0.59) PKMTSHRAPOBEC3AAPOBEC3GNPC1

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-0994115-B1 Process for preparation of pyrazolo-(4,3-d)pyrimidin-7-ones and intermediates thereof PFIZER LTD (GB) 2005-03-02 EP disclosed
US-20030069422-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof DUNN PETER JAMES (GB) 2003-04-10 US disclosed
US-20010009962-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof DUNN PETER JAMES (GB) 2001-07-26 US disclosed
US-6207829-B1 CYCLIZATION OF A CORRESPONDING PYRAZOLE COMPOUND PFIZER INC. 2001-03-27 US disclosed
EP-0994115-A2 Process for preparation of pyrazolo-(4,3-d)pyrimidin-7-ones and intermediates thereof Pfizer Limited (GB) 2000-04-19 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 (2 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-20010009962-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof UGT2B7, CYP3A7, TOP2B KMT2A 2876/4885PKM 488/4885TSHR 4131/4885
US-20030069422-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof UGT2B7, CYP3A7, TOP2B KMT2A 2876/4885PKM 488/4885TSHR 4131/4885

“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.