SCHEMBL10061874

SCHEMBL10061874

[C-]#[N+]C(C)(C)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 0.81
UGT1A4 P22310 1/20 0.81
PDE4D Q08499 1/20 0.81
ESR1 P03372 1/20 0.50
STS P08842 1/20 0.47

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
Anastrozole SCHEMBL9726 0.90 CYP19A1 (1.00) CYP19A1UGT1A4PDE4DESR1STS
Anastrozole SCHEMBL177942 0.90 CYP19A1 (1.00) CYP19A1UGT1A4PDE4DESR1STS
Anastrozole SCHEMBL27927481 0.90 CYP19A1 (1.00) CYP19A1UGT1A4PDE4DESR1STS
Anastrozole SCHEMBL28771766 0.89 CYP19A1 (0.97) CYP19A1UGT1A4PDE4DESR1STS
Anastrozole SCHEMBL5917785 0.89 CYP19A1 (0.97) CYP19A1UGT1A4PDE4DESR1STS
Anastrozole SCHEMBL3172308 0.89 CYP19A1 (0.97) CYP19A1UGT1A4PDE4DESR1STS
SCHEMBL10324455 0.86 CYP19A1 (0.92) CYP19A1UGT1A4PDE4DESR1STS
Anastrozole SCHEMBL13323739 0.85 CYP19A1 (0.90) CYP19A1UGT1A4PDE4DESR1STS
SCHEMBL8059026 0.84 CYP19A1 (0.87) CYP19A1UGT1A4PDE4DESR1STS
Anastrozole SCHEMBL354747 0.83 CYP19A1 (0.85) 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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9549988-B2 Pharmaceutical compounds targeted by MIF affinity-tethered moieties RJS Biologics (US) 2017-01-24 US disclosed
US-9505732-B2 Auto magnetic metal salen complex compound IHI CORPORATION (JP) 2016-11-29 US disclosed
US-20160263074-A1 METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG ISHIKAWA YOSHIHIRO (JP) 2016-09-15 US disclosed
US-20150352217-A1 Pharmaceutical Compounds Targeted by MIF Affinity-Tethered Moieties RJS BIOLOGICS LLC 2015-12-10 US disclosed
US-20150168424-A1 IGFBP2 Biomarker WANG YAN (US) 2015-06-18 US disclosed
US-20140206635-A1 METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG IHI CORPORATION (JP) 2014-07-24 US disclosed
US-20140046021-A1 SELF-MAGNETIC METAL-SALEN COMPLEX COMPOUND IHI CORPORATION (JP) 2014-02-13 US disclosed
US-8470860-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2013-06-25 US disclosed
US-8216571-B2 Fully human anti-VEGF antibodies and methods of using SCHERING CORPORATION (US) 2012-07-10 US disclosed
US-20120029167-A1 AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND YOSHIHIRO ISHIKAWA (JP) 2012-02-02 US disclosed
US-7655806-B2 Process for purification of anastrozole SYNTHON BV (NL) 2010-02-02 US disclosed
US-20090286989-A1 Process for High Purity Anastrozole SHILPA MEDICARE LTD. (IN) 2009-11-19 US disclosed
US-20090247765-A1 PROCESS FOR PREPARING PURE ANASTROZOLE CADILA HEALTHCARE LIMITED (IN) 2009-10-01 US disclosed
US-20090221837-A1 Process for the Preparation of Pure Anastrozole CADILA HEALTHCARE LIMITED (IN) 2009-09-03 US disclosed
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 disclosed
US-20080112888-A1 IGFBP2 BIOMARKER SCHERING CORPORATION 2008-05-15 US disclosed
US-20080096946-A1 Process For The Preparation Of Anastrozole GENERICS [UK] LIMITED (GB) 2008-04-24 US disclosed
US-20080076933-A1 PROCESS FOR MAKING ANASTROZOLE SYNTHON BV (NL) 2008-03-27 US disclosed
US-20070281982-A1 PROCESS FOR PURIFICATION OF ANASTROZOLE SYNTHON BV (NL) 2007-12-06 US disclosed
US-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2007-05-24 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 (15 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-20150168424-A1 IGFBP2 Biomarker IGFBP2, IGFBP1, IGFBP5 CYP19A1 379/4885UGT1A4 1685/4885PDE4D 4386/4885
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-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors CYP19A1, CYP17A1, CYP21A2 CYP19A1 1/4885UGT1A4 270/4885PDE4D 3642/4885
US-20090221837-A1 Process for the Preparation of Pure Anastrozole CYP19A1, CYP4B1, CYP1B1 CYP19A1 1/4885UGT1A4 295/4885PDE4D 1050/4885
US-20120029167-A1 AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND SDHB, SDHA, SLC40A1 CYP19A1 1634/4885UGT1A4 2029/4885PDE4D 4684/4885
US-20090286989-A1 Process for High Purity Anastrozole CYP19A1, CYP3A5, AURKC CYP19A1 1/4885UGT1A4 1478/4885PDE4D 2131/4885
US-20140206635-A1 METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG NCLN, KCNN2, NCSTN CYP19A1 3185/4885UGT1A4 3612/4885PDE4D 4688/4885
US-20080112888-A1 IGFBP2 BIOMARKER IGFBP2, IGFBP1, IGFBP5 CYP19A1 379/4885UGT1A4 1685/4885PDE4D 4386/4885
US-20070281982-A1 PROCESS FOR PURIFICATION OF ANASTROZOLE CYP19A1, HSD17B11, ADH1A CYP19A1 1/4885UGT1A4 254/4885PDE4D 1560/4885
US-20080096946-A1 Process For The Preparation Of Anastrozole CYP19A1, CYP2C19, CYP3A4 CYP19A1 1/4885UGT1A4 58/4885PDE4D 837/4885
US-20140046021-A1 SELF-MAGNETIC METAL-SALEN COMPLEX COMPOUND SSBP1, KCNN1, IMMT CYP19A1 3990/4885UGT1A4 3131/4885PDE4D 4378/4885
US-20160263074-A1 METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG NCLN, KCNN2, NCSTN CYP19A1 3185/4885UGT1A4 3612/4885PDE4D 4688/4885
US-20080076933-A1 PROCESS FOR MAKING ANASTROZOLE CYP19A1, CYP3A4, CYP2C19 CYP19A1 1/4885UGT1A4 47/4885PDE4D 1598/4885
US-20090247765-A1 PROCESS FOR PREPARING PURE ANASTROZOLE CYP19A1, PGR, GNRHR CYP19A1 1/4885UGT1A4 275/4885PDE4D 165/4885
US-20150352217-A1 Pharmaceutical Compounds Targeted by MIF Affinity-Tethered Moieties MIF, HMGB2, HMGB1 CYP19A1 3268/4885UGT1A4 3392/4885PDE4D 2298/4885

“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.