SCHEMBL9913655

SCHEMBL9913655

[C-]#[N+]c1ccc(C(c2ccc(C#N)cc2)n2cnnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 0.51
CYP3A4 P08684 1/20 0.44
CYP11B1 P15538 1/20 0.44
TSHR P16473 1/20 0.44
CYP11B2 P19099 1/20 0.44
CYP2C19 P33261 1/20 0.44
OPRD1 P41143 1/20 0.36

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
SCHEMBL946685 0.87 CYP19A1 (0.64) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL13821868 0.80 CYP19A1 (0.59) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL95170 0.77 CYP19A1 (0.78) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL13403830 0.77 CYP19A1 (0.52) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL324969 0.76 CA2 (0.46) TSHR
SCHEMBL9913645 0.74 CYP19A1 (0.37) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL9913659 0.74 CYP2A6 (0.39) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL9913657 0.74 CA2 (0.39) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL9913656 0.74 GSK3B (0.38) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL8773276 0.70 MMP3 (0.52) TSHRCYP11B2

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 13 patents. 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-20130203826-A1 Pure Intermediate GENERICS [UK] LIMITED (GB) 2013-08-08 US disclosed
US-8198460-B2 Process for preparation of letrozole and its intermediates FRESENIUS KABI ONCOLOGY LTD. (IN) 2012-06-12 US disclosed
US-8003804-B2 Synthesis of 4-[1-(4-cyano phenyl)-(1,2,4-triazol-1-yl)methyl] benzonitrile and 4-[1-(1H-1,2,4-triazol-1-yl)methylene benzonitrile intermediate CIPLA LIMITED (IN) 2011-08-23 US disclosed
US-20100234617-A1 PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES FRESENIUS KABI ONCOLOGY LTD. (IN) 2010-09-16 US disclosed
US-20100190997-A1 Process for the Preparation of Letrozole CADILA HEALTHCARE LIMITED (IN) 2010-07-29 US disclosed
US-7705159-B2 Process for the preparation of letrozole SICOR, INC. (US) 2010-04-27 US disclosed
US-20090270633-A1 Synthesis of 4-[1-(4-cyano phenyl)-(1,2,4-triazol-1-yl)methyl] benzonitrile and 4-[1-(1H-1,2,4-triazol-1-yl)methylene benzonitrile intermediate CIPLA LIMITED (IN) 2009-10-29 US disclosed
US-7465749-B2 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) 2008-12-16 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20070066831-A1 Process for the preparation of letrozole CYP19A1, CYP4B1, CYP3A4 CYP19A1 1/4885CYP3A4 3/4885CYP11B1 14/4885
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-20090270633-A1 Synthesis of 4-[1-(4-cyano phenyl)-(1,2,4-triazol-1-yl)methyl] benzonitrile and 4-[1-(1H-1,2,4-triazol-1-yl)methylene benzonitrile intermediate CYP19A1, CDK14, KISS1R CYP19A1 1/4885CYP3A4 10/4885CYP11B1 77/4885
US-20100234617-A1 PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES CYP19A1, CYP4B1, CYP3A4 CYP19A1 1/4885CYP3A4 3/4885CYP11B1 9/4885
US-20100190997-A1 Process for the Preparation of Letrozole CYP19A1, CYP11A1, HSD17B11 CYP19A1 1/4885CYP3A4 6/4885CYP11B1 5/4885

“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.