Sugi Predict

Sugi Predict / Compounds / SCHEMBL3587766

SCHEMBL3587766

SCHEMBL3587766

CCOC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)cnc1Cl

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ CYP2D6 P10635 1/20 0.54
▸ PKM P14618 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ CYP2C9 P11712 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ APOBEC3A P31941 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ GAA P10253 1/20 0.43

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
SCHEMBL3576451 0.87 KMT2A (0.80) KMT2AALDH1A1CYP2D6PKMLMNA
SCHEMBL5875707 0.86 KMT2A (0.71) KMT2AALDH1A1CYP2D6PKMLMNA
SCHEMBL7004598 0.83 KMT2A (0.88) KMT2AALDH1A1CYP2D6PKMCYP2C9
SCHEMBL6444862 0.82 KMT2A (0.66) KMT2AALDH1A1CYP2D6
SCHEMBL6446759 0.82 KMT2A (0.58) KMT2AALDH1A1CYP2D6PKMMEN1
SCHEMBL6442764 0.82 KMT2A (0.66) KMT2AALDH1A1CYP2D6PKMMEN1
SCHEMBL6444293 0.81 KMT2A (0.65) KMT2AALDH1A1CYP2D6PKMGAA
SCHEMBL6855768 0.81 CASP1 (0.44) KMT2AALDH1A1MEN1LMNANPC1
SCHEMBL6441964 0.80 KMT2A (0.60) KMT2AALDH1A1CYP2D6
SCHEMBL6444270 0.79 KMT2A (0.59) KMT2AALDH1A1CYP2D6MEN1CYP2C9

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035891-A1 Pharmaceutically Active Compounds PFIZER INC 2010-02-11 — — US disclosed
US-7176311-B2 Process for preparing pharmaceutically active compounds PFIZER INC. (US) 2007-02-13 — — US disclosed
US-20060293347-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS PFIZER INC 2006-12-28 — — US disclosed
US-7067660-B2 such as 1-(4-ethoxy-3-formylphenylsulfonyl)-4-methylpiperazine; for use as anti-impotence agent PFIZER INC. (US) 2006-06-27 — — US disclosed
US-7005520-B2 Process for the preparation of pyrazolopyrimidinones PFIZER INC. (US) 2006-02-28 — — US disclosed
US-20050107412-A1 Pharmaceutically active compounds PFIZER INC 2005-05-19 — — US disclosed
EP-1305314-B1 CRYSTALLINE THERAPEUTIC AGENT PFIZER LTD (GB) 2005-01-12 — — EP disclosed
EP-1092720-B1 Process for the preparation of pyrazolo [4,3-d] pyrimidin-7-ones-3-pyridylsulphonyl compounds and intermediates thereof PFIZER LTD (GB) 2005-01-12 — — EP disclosed
US-6831074-B2 Inhibitors of cyclic guanosine 3',5'-monophosphate phosphodiesterases (cGMP PDES); for use in therapy of sexual disorders PFIZER INC 2004-12-14 — — US disclosed
EP-1220856-B1 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES PFIZER LTD (GB) 2004-12-08 — — EP disclosed
EP-1220856-A2 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES Pfizer Limited (GB) 2002-07-10 — — EP disclosed
US-20020040140-A1 For therapy of male erectile dysfunction PFIZER INC. 2002-04-04 — — US disclosed
US-6350751-B1 ANHYDROUS PARA-TOLUENESULPHONIC ACID SALTS OF 3-ETHYL-5-(5-(4-ETHYL PIPERAZIN-1-YLSULPHONYL)-2-(2-METHOXYETHOXY) PYRIDIN-3-YL)-2-(PYRIDIN-2-YL)METHYL-2,6-DIHYDRO-7H-PYRAZOLO PFIZER INC. 2002-02-26 — — US disclosed
WO-2002010171-A1 CRYSTALLINE THERAPEUTIC AGENT PFIZER LIMITED (GB) 2002-02-07 — — WO disclosed
US-20020013464-A1 Novel process for the preparation of pyrazolopyrimidinones PFIZER INC. 2002-01-31 — — US disclosed
US-20020013465-A1 Novel process for the preparation of pyrazolopyrimidinones PFIZER INC. 2002-01-31 — — US disclosed
WO-2001098303-A1 NOVEL PROCESS FOR THE PREPARATION OF PYRAZOLOPYRIMIDINONES PFIZER LIMITED (GB) 2001-12-27 — — WO disclosed
WO-2001027101-A2 ANHYDROUS SALT PFIZER LIMITED (GB) 2001-04-19 — — WO disclosed
WO-2001027113-A2 PYRAZOLO `4,3-d! PYRIMIDINE DERIVATIVES PFIZER LIMITED (GB) 2001-04-19 — — WO disclosed
EP-1092720-A2 Process for the preparation of pyrazolo [4,3-d] pyrimidin-7-ones-3-pyridylsulphonyl compounds and intermediates thereof Pfizer Limited (GB) 2001-04-18 — — 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 (6 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-20050107412-A1 Pharmaceutically active compounds PDE5A, PDE2A, PDE3B KMT2A 4385/4885ALDH1A1 720/4885CYP2D6 950/4885
US-20100035891-A1 Pharmaceutically Active Compounds PDE5A, PDE3A, PDE3B KMT2A 4553/4885ALDH1A1 758/4885CYP2D6 307/4885
US-20060293347-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS PDE5A, PDE3A, PDE3B KMT2A 4553/4885ALDH1A1 758/4885CYP2D6 307/4885
US-20020013465-A1 Novel process for the preparation of pyrazolopyrimidinones SDHA, NDUFS3, NDUFS2 KMT2A 3944/4885ALDH1A1 163/4885CYP2D6 30/4885
US-20020013464-A1 Novel process for the preparation of pyrazolopyrimidinones CYP4F3, CYP3A4, NDUFS3 KMT2A 3952/4885ALDH1A1 812/4885CYP2D6 31/4885
US-20020040140-A1 For therapy of male erectile dysfunction PDE3A, PDE5A, PDE3B KMT2A 4100/4885ALDH1A1 1787/4885CYP2D6 321/4885

“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.