SCHEMBL95170

SCHEMBL95170

[C-]#[N+]c1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 20/20 0.78
CYP3A4 P08684 1/20 0.78
CYP11B1 P15538 1/20 0.78
TSHR P16473 1/20 0.78
CYP11B2 P19099 1/20 0.78
CYP2C19 P33261 1/20 0.78
STS P08842 4/20 0.54

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
Letrozole SCHEMBL4331 0.89 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL178028 0.89 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL29079510 0.89 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL5326636 0.89 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL1026263 0.87 CYP19A1 (0.97) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL28081077 0.87 CYP19A1 (0.97) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL10323873 0.82 CYP19A1 (0.54) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL13285157 0.82 CYP19A1 (0.85) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL5430341 0.82 CYP19A1 (0.85) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL10075551 0.82 CYP19A1 (0.85) CYP19A1CYP3A4CYP11B1TSHRCYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150524-B2 Pure intermediate GENERICS [UK] LIMITED (GB) 2015-10-06 US disclosed
US-20150168424-A1 IGFBP2 Biomarker WANG YAN (US) 2015-06-18 US disclosed
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer MERCK SHARP & DOHME (US) 2015-04-02 US disclosed
US-20140378420-A1 METHODS FOR THE TREATMENT OF BREAST CANCER SYNDAX PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-20130243692-A1 FDG-PET EVALUATION OF EWING'S SARCOMA SENSITIVITY MERCK SHARP & DOHME CORP. (US) 2013-09-19 US disclosed
US-20130203826-A1 Pure Intermediate GENERICS [UK] LIMITED (GB) 2013-08-08 US disclosed
US-8470297-B1 FDG-pet evaluation of Ewing's sarcoma sensitivity MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-8198460-B2 Process for preparation of letrozole and its intermediates FRESENIUS KABI ONCOLOGY LTD. (IN) 2012-06-12 US disclosed
US-20120058112-A1 ANTIBODIES MERCK SHARP & DOHME CORP. 2012-03-08 US disclosed
US-8124614-B2 Steroidal compounds for inhibiting steroid sulphatase STERIX LIMITED (GB) 2012-02-28 US disclosed
US-7459565-B2 Regiospecific process for the preparation of 4-[1- (4-cyanophenyl)-1-(1,2,4-triazol-1-yl)methyl] benzonitrile SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2008-12-02 US disclosed
US-20080112888-A1 IGFBP2 BIOMARKER SCHERING CORPORATION 2008-05-15 US disclosed
US-20080090242-A1 PANEL OF BIOMARKERS FOR PREDICTION OF FTI EFFICACY SCHERING CORPORATION 2008-04-17 US disclosed
US-7276513-B2 Steroidal compounds for inhibiting steroid sulphatase STERIX, LTD. (GB) 2007-10-02 US disclosed
US-20070112203-A1 The impurity isoletrozole is more rapidly oxidized to 4,4'-dicyanobenzophenone than Letrozole, which can be seperated by crystallization to yield highly purified letrozole CHEMAGIS LTD. (IL) 2007-05-17 US disclosed
US-20070112202-A1 Letrozole production process CHEMAGIS LTD. (IL) 2007-05-17 US disclosed
US-20070105886-A1 Steroidal compounds for inhibiting steroid sulphatase RICHTER GEDEON NYRT. (HU) 2007-05-10 US disclosed
US-20070100149-A1 PROCESS FOR PREPARING LETROZOLE DR. REDDY'S LABORATORIES, INC. 2007-05-03 US disclosed
US-20070066831-A1 Process for the preparation of letrozole SICOR, INC. 2007-03-22 US disclosed
US-20070054899-A1 Aromatase inhibitor compounds and uses thereof PARALLEL WIRELESS, INC. 2007-03-08 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 (13 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-20070100149-A1 PROCESS FOR PREPARING LETROZOLE CYP19A1, CYP2C19, CYP17A1 CYP19A1 1/4885CYP3A4 4/4885CYP11B1 80/4885
US-20150168424-A1 IGFBP2 Biomarker IGFBP2, IGFBP1, IGFBP5 CYP19A1 379/4885CYP3A4 3596/4885CYP11B1 2865/4885
US-20130243692-A1 FDG-PET EVALUATION OF EWING'S SARCOMA SENSITIVITY IGF1R, IRS1, EWSR1 CYP19A1 400/4885CYP3A4 2778/4885CYP11B1 3953/4885
US-20080112888-A1 IGFBP2 BIOMARKER IGFBP2, IGFBP1, IGFBP5 CYP19A1 379/4885CYP3A4 3596/4885CYP11B1 2865/4885
US-20070066831-A1 Process for the preparation of letrozole CYP19A1, CYP4B1, CYP3A4 CYP19A1 1/4885CYP3A4 3/4885CYP11B1 14/4885
US-20070105886-A1 Steroidal compounds for inhibiting steroid sulphatase STS, NR5A1, CYP21A2 CYP19A1 37/4885CYP3A4 358/4885CYP11B1 34/4885
US-20070112203-A1 The impurity isoletrozole is more rapidly oxidized to 4,4'-dicyanobenzophenone than Letrozole, which can be seperated by crystallization to yield highly purified letrozole CYP19A1, HSD17B11, SHBG CYP19A1 1/4885CYP3A4 6/4885CYP11B1 27/4885
US-20130203826-A1 Pure Intermediate CYP19A1, CYP11A1, CYP11B1 CYP19A1 1/4885CYP3A4 9/4885CYP11B1 3/4885
US-20120058112-A1 ANTIBODIES IGF1R, EGFR, ERBB3 CYP19A1 1082/4885CYP3A4 4577/4885CYP11B1 4672/4885
US-20070054899-A1 Aromatase inhibitor compounds and uses thereof CYP19A1, CYP17A1, HSD17B11 CYP19A1 1/4885CYP3A4 41/4885CYP11B1 5/4885
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer BRCA1, VHL, TP53 CYP19A1 489/4885CYP3A4 3752/4885CYP11B1 802/4885
US-20070112202-A1 Letrozole production process CYP19A1, CDK14, CDK19 CYP19A1 1/4885CYP3A4 5/4885CYP11B1 26/4885
US-20140378420-A1 METHODS FOR THE TREATMENT OF BREAST CANCER CYP19A1, HDAC1, HSD17B11 CYP19A1 1/4885CYP3A4 343/4885CYP11B1 176/4885

“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.