Sugi Predict

Sugi Predict / Compounds / SCHEMBL1172829

SCHEMBL1172829

SCHEMBL1172829

Cc1cc(C(C)(C)C#N)cc(C(C)(C)C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.42
▸ UGT1A4 P22310 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PGK1 P00558 1/20 0.34
▸ PGK2 P07205 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ TYR P14679 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SCN10A Q9Y5Y9 1/20 0.30

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
SCHEMBL10701617 0.95 CYP19A1 (0.39) CYP19A1UGT1A4PDE4DPGK1PGK2
SCHEMBL4397985 0.93 GABRA1 (0.39) CYP19A1UGT1A4PDE4DPGK1PGK2
SCHEMBL24454561 0.89 RAPGEF4 (0.42) CYP19A1UGT1A4PDE4DPGK1PGK2
SCHEMBL21902424 0.86 PGK1 (0.39) CYP19A1UGT1A4PDE4DPGK1PGK2
SCHEMBL22915820 0.85 ALDH1A1 (0.46) CYP19A1UGT1A4PDE4DALDH1A1CA2
SCHEMBL22186425 0.85 ALDH1A1 (0.48) CYP19A1UGT1A4PDE4DALDH1A1POLB
SCHEMBL305812 0.85 CYP19A1 (0.34) CYP19A1UGT1A4PDE4DALDH1A1
SCHEMBL10222049 0.85 CYP19A1 (0.34) CYP19A1UGT1A4PDE4D
SCHEMBL12363798 0.84 CYP19A1 (0.35) CYP19A1UGT1A4PDE4D
SCHEMBL10701886 0.84 CYP19A1 (0.38) CYP19A1UGT1A4PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014184754-A1 METHOD FOR PREPARING ANASTROZOLE FOR PHARMACEUTICAL PURPOSES CORDEN PHARMA LATINA S.P.A. CON SOCIO UNICO (IT) 2014-11-20 — — WO claimed
EP-2397472-A1 A process for the preparation of a benzylbromide intermediates Cadila Healthcare Limited (IN) 2011-12-21 — — EP claimed
US-20090221837-A1 Process for the Preparation of Pure Anastrozole CADILA HEALTHCARE LIMITED (IN) 2009-09-03 — — US claimed
US-20080207915-A1 Process for the Preparation of 2,2'-[5-(1H-1,2,4-Triazole-1-Ylmethyl) -1,3-Phenylene] Di (2-Methylpropionitrile) USV LIMITED (IN) 2008-08-28 — — US claimed
EP-1940806-A2 A PROCESS FOR THE PREPARATION OF PURE ANASTROZOLE CADILA HEALTHCARE LTD. (IN) 2008-07-09 — — EP claimed
WO-2007054963-A2 A PROCESS FOR THE PREPARATION OF PURE ANASTROZOLE CADILA HEALTHCARE LIMITED (IN) 2007-05-18 — — WO claimed
US-20070100148-A1 PROCESS FOR PREPARING ANASTROZOLE DR. REDDY'S LABORATORIES, INC. 2007-05-03 — — US claimed
US-20060189670-A1 Process for the preparation of anastrozole and intermediates thereof GLENMARK PHARMACEUTICALS LIMITED (IN) 2006-08-24 — — US claimed
US-20060035950-A1 Novel processes for preparing substantially pure anastrozole CHEMAGIS LTD. (IL) 2006-02-16 — — US claimed
CN-108997236-B Preparation method of anastrozole impurity 重庆华邦制药有限公司 2021-09-14 — — CN disclosed
EP-2024343-B1 PROCESS FOR PURIFICATION OF ANASTROZOLE SYNTHON BV (NL) 2015-09-09 — — EP disclosed
WO-2014184754-A1 METHOD FOR PREPARING ANASTROZOLE FOR PHARMACEUTICAL PURPOSES CORDEN PHARMA LATINA S.P.A. CON SOCIO UNICO (IT) 2014-11-20 — — WO disclosed
EP-2066646-B1 PROCESS FOR THE PREPARATION OF PURE ANASTROZOLE CIPLA LTD (IN) 2012-06-13 — — EP disclosed
EP-2066646-B1 PROCESS FOR THE PREPARATION OF PURE ANASTROZOLE CIPLA LTD (IN) 2012-06-13 — — EP disclosed
US-20060035950-A1 Novel processes for preparing substantially pure anastrozole CHEMAGIS LTD. (IL) 2006-02-16 — — US disclosed
WO-2006000836-A1 PROCESS FOR THE PREPARATION OF ANASTROZOLE GENERICS [UK] LIMITED (GB) 2006-01-05 — — WO disclosed
US-RE36617-E Anastrozole and salts as anticancer agent ZENECA LIMITED (GB) 2000-03-14 — — US disclosed
EP-0296749-B1 (Substituted aralkyl) heterocyclic compounds ZENECA LTD (GB) 1994-10-26 — — EP disclosed
US-4935437-A (Substituted aralkyl) heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-19 — — US disclosed
EP-0296749-A1 (Substituted aralkyl) heterocyclic compounds ZENECA LIMITED (GB) 1988-12-28 — — 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 (5 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-20080207915-A1 Process for the Preparation of 2,2'-[5-(1H-1,2,4-Triazole-1-Ylmethyl) -1,3-Phenylene] Di (2-Methylpropionitrile) CYP19A1, CYP11A1, HCN2 CYP19A1 1/4885UGT1A4 2895/4885PDE4D 3218/4885
US-20090221837-A1 Process for the Preparation of Pure Anastrozole CYP19A1, CYP4B1, CYP1B1 CYP19A1 1/4885UGT1A4 295/4885PDE4D 1050/4885
US-20070100148-A1 PROCESS FOR PREPARING ANASTROZOLE CYP19A1, CYP2C19, CYP3A7 CYP19A1 1/4885UGT1A4 76/4885PDE4D 1014/4885
US-20060035950-A1 Novel processes for preparing substantially pure anastrozole CYP19A1, CYP11A1, CYP4B1 CYP19A1 1/4885UGT1A4 1143/4885PDE4D 950/4885
US-20060189670-A1 Process for the preparation of anastrozole and intermediates thereof CYP19A1, CYP1B1, CYP4B1 CYP19A1 1/4885UGT1A4 191/4885PDE4D 1357/4885

“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.