SCHEMBL4929247

SCHEMBL4929247

CC(C)(C#N)c1cc(Cn2cnnc2)cc(C(C)(C)C#N)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.60
UGT1A4 P22310 1/20 0.60
PDE4D Q08499 1/20 0.60
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ESR1 P03372 1/20 0.36
STS P08842 1/20 0.34
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL12780413 0.89 CYP19A1 (0.50) CYP19A1UGT1A4PDE4DTP53L3MBTL1
SCHEMBL2350295 0.81 CYP19A1 (0.58) CYP19A1UGT1A4PDE4DCYP11B1CYP11B2
Anastrozole SCHEMBL177942 0.75 CYP19A1 (1.00) CYP19A1UGT1A4PDE4DESR1STS
Anastrozole SCHEMBL27927481 0.75 CYP19A1 (1.00) CYP19A1UGT1A4PDE4DESR1STS
SCHEMBL5955314 0.75 CYP19A1 (0.58) CYP19A1UGT1A4PDE4DESR1STS
Anastrozole SCHEMBL9726 0.75 CYP19A1 (1.00) CYP19A1UGT1A4PDE4DESR1STS
Anastrozole SCHEMBL3172308 0.74 CYP19A1 (0.97) CYP19A1UGT1A4PDE4DESR1STS
Anastrozole SCHEMBL5917785 0.74 CYP19A1 (0.97) CYP19A1UGT1A4PDE4DESR1STS
SCHEMBL13530998 0.74 CYP19A1 (0.60) CYP19A1UGT1A4PDE4DESR1STS
Anastrozole SCHEMBL28771766 0.74 CYP19A1 (0.97) CYP19A1UGT1A4PDE4DESR1STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189670-A1 Process for the preparation of anastrozole and intermediates thereof GLENMARK PHARMACEUTICALS LIMITED (IN) 2006-08-24 US claimed
EP-2456758-B1 A PROCESS FOR PREPARING TRISUBSTITUTED PHENYL DERIVATIVES COMPRISING A (1H-1,2,4-TRIAZOL-1-YL)ALKYL GROUP HEXAL AG (DE) 2014-08-06 EP disclosed
CN-102050796-B Method for preparing alpha,alpha,alpha',alpha'-tetramethyl-5-(1H-1,3,4-triazole-1-ylmethyl)-1,3-phenylenediacetonitrile CHANGZHOU NO 4 PHARMACEUTICAL FACTORY CO LTD 2012-09-26 CN disclosed
CN-102050796-B Method for preparing alpha,alpha,alpha',alpha'-tetramethyl-5-(1H-1,3,4-triazole-1-ylmethyl)-1,3-phenylenediacetonitrile CHANGZHOU NO 4 PHARMACEUTICAL FACTORY CO LTD 2012-09-26 CN disclosed
WO-2011083079-A1 A PROCESS FOR PREPARING TRISUBSTITUTED PHENYL DERIVATIVES COMPRISING A (1H-1,2,4-TRIAZOL-1-YL)ALKYL GROUP HEXAL AKTIENGESELLSCHAFT (DE) 2011-07-14 WO disclosed
EP-2343278-A1 A process for preparing trisubstituted phenyl derivatives comprising a (1H-1,2,4-triazol-1-yl)alkyl group Hexal AG (DE) 2011-07-13 EP disclosed
CN-102050796-A Method for preparing alpha,alpha,alpha',alpha'-tetramethyl-5-(1H-1,3,4-triazole-1-ylmethyl)-1,3-phenylenediacetonitrile CHANGZHOU NO 4 PHARMACEUTICAL FACTORY LTD 2011-05-11 CN disclosed
CN-102050796-A Method for preparing alpha,alpha,alpha',alpha'-tetramethyl-5-(1H-1,3,4-triazole-1-ylmethyl)-1,3-phenylenediacetonitrile CHANGZHOU NO 4 PHARMACEUTICAL FACTORY LTD 2011-05-11 CN disclosed
US-20110065927-A1 PROCESS FOR PREPARING PURE ANASTROZOLE CADILA HEALTHCARE LIMITED (IN) 2011-03-17 US disclosed
US-20100099888-A1 Process for the preparation of anticancer drugs VILLA MARCO 2010-04-22 US disclosed
US-20080177081-A1 Process for Preparation of Anastrozole FORMOSA LABORATORIES, INC. (TW) 2008-07-24 US disclosed
US-20080177081-A1 Process for Preparation of Anastrozole FORMOSA LABORATORIES, INC. (TW) 2008-07-24 US disclosed
US-20080177081-A1 Process for Preparation of Anastrozole FORMOSA LABORATORIES, INC. (TW) 2008-07-24 US disclosed
US-20080076933-A1 PROCESS FOR MAKING ANASTROZOLE SYNTHON BV (NL) 2008-03-27 US disclosed
WO-2007134846-A2 PROCESS FOR PURIFICATION OF ANASTROZOLE SYNTHON B.V. (NL) 2007-11-29 WO disclosed
US-20070100148-A1 PROCESS FOR PREPARING ANASTROZOLE DR. REDDY'S LABORATORIES, INC. 2007-05-03 US disclosed
WO-2007039913-A1 PROCESS FOR THE PREPARATION OF 2,2’-[5-(1,2,4-TRIAZOLE-1-YLMETHYL) -1,3-PHENYLENE] DI (2-METHYLPROPIONITRILE). USV LIMITED (IN) 2007-04-12 WO disclosed
US-20060189670-A1 Process for the preparation of anastrozole and intermediates thereof GLENMARK PHARMACEUTICALS LIMITED (IN) 2006-08-24 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

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-20070100148-A1 PROCESS FOR PREPARING ANASTROZOLE CYP19A1, CYP2C19, CYP3A7 CYP19A1 1/4885UGT1A4 76/4885PDE4D 1014/4885
US-20080177081-A1 Process for Preparation of Anastrozole CYP19A1, CYP3A5, CYP2C19 CYP19A1 1/4885UGT1A4 56/4885PDE4D 249/4885
US-20060189670-A1 Process for the preparation of anastrozole and intermediates thereof CYP19A1, CYP1B1, CYP4B1 CYP19A1 1/4885UGT1A4 191/4885PDE4D 1357/4885
US-20080076933-A1 PROCESS FOR MAKING ANASTROZOLE CYP19A1, CYP3A4, CYP2C19 CYP19A1 1/4885UGT1A4 47/4885PDE4D 1598/4885
US-20110065927-A1 PROCESS FOR PREPARING PURE ANASTROZOLE CYP19A1, NR5A1, ESR1 CYP19A1 1/4885UGT1A4 270/4885PDE4D 299/4885
US-20100099888-A1 Process for the preparation of anticancer drugs CYP19A1, NME1, NME2 CYP19A1 1/4885UGT1A4 2162/4885PDE4D 1322/4885

“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.