SCHEMBL2286797

SCHEMBL2286797

N#Cc1ccc(Cn2cnnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.64
CYP11B2 P19099 10/20 0.64
CYP19A1 P11511 8/20 0.64
LOXL2 Q9Y4K0 2/20 0.47
CYP2A6 P11509 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
SCHEMBL771716 0.78 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP2A6
SCHEMBL2360805 0.78 CYP19A1 (0.61) CYP11B1CYP11B2CYP19A1LOXL2CYP2A6
Hydrochloric Acid SCHEMBL8307735 0.77 CYP11B1 (0.97) CYP11B1CYP11B2CYP19A1CYP2A6
Hydrazine SCHEMBL28019549 0.75 CYP11B1 (0.94) CYP11B1CYP11B2CYP19A1CYP2A6
SCHEMBL5541647 0.74 CYP19A1 (0.61) CYP11B1CYP11B2CYP19A1CYP2A6
SCHEMBL7976423 0.74 CYP19A1 (0.53) CYP11B1CYP11B2CYP19A1
SCHEMBL11372093 0.74 CYP19A1 (0.59) CYP11B1CYP11B2CYP19A1CYP2A6
SCHEMBL13946675 0.72 CYP19A1 (0.60) CYP11B1CYP11B2CYP19A1
SCHEMBL2222933 0.72 CYP19A1 (0.41) CYP11B1CYP11B2CYP19A1CYP2A6
SCHEMBL14549033 0.72 CYP19A1 (0.49) CYP11B1CYP11B2CYP19A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190997-A1 Process for the Preparation of Letrozole CADILA HEALTHCARE LIMITED (IN) 2010-07-29 US claimed
EP-1945618-A2 PROCESS FOR THE PREPARATION OF LETROZOLE CADILA HEALTHCARE LTD. (IN) 2008-07-23 EP claimed
WO-2007054964-A2 PROCESS FOR THE PREPARATION OF LETROZOLE CADILA HEALTHCARE LIMITED (IN) 2007-05-18 WO claimed
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-8198460-B2 Process for preparation of letrozole and its intermediates FRESENIUS KABI ONCOLOGY LTD. (IN) 2012-06-12 US disclosed
WO-2012025762-A2 PURE INTERMEDIATE GENERICS [UK] LIMITED (GB) 2012-03-01 WO disclosed
EP-2212301-B1 AN IMPROVED PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES FRESENIUS KABI ONCOLOGY LTD (IN) 2012-02-29 EP 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-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-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-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
WO-2007039912-A1 A ONE POT PROCESS FOR THE PREPARATION OF 4-[1-CYANOPHENYL)-1-(1,2,4-TRIAZOL-1-YL)METHYL]BENZONITRILE USV LIMITED (IN) 2007-04-12 WO disclosed
US-20070066831-A1 Process for the preparation of letrozole SICOR, INC. 2007-03-22 US disclosed
US-20070066831-A1 Process for the preparation of letrozole SICOR, INC. 2007-03-22 US disclosed
US-20060128775-A1 Regiospecific process for the preparation of 4-[1- (4-cyanophenyl)-1-(1,2,4-triazol-1-yl) methyl] benzonitrile SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2006-06-15 US disclosed
EP-1594850-A2 REGIOSPECIFIC PROCESS FOR THE PREPARATION OF 4- 1- (4-CYANOPHENYL)-1-(1,2,4-TRIAZOL-1-YL)METHYL]BENZONITRILE Sun Pharmaceuticals Industries Ltd. (IN) 2005-11-16 EP disclosed
US-20050209294-A1 Process for producing 4-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile M/S. IND-SWIFT LABORATORIES LIMITED (IN) 2005-09-22 US disclosed
WO-2004076409-A2 REGIOSPECIFIC PROCESS FOR THE PREPARATION OF 4-[1- (4-CYANOPHENYL)-1-(1,2,4-TRIAZOL-1-YL)METHYL]BENZONITRILE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2004-09-10 WO 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-20070066831-A1 Process for the preparation of letrozole CYP19A1, CYP4B1, CYP3A4 CYP11B1 14/4885CYP11B2 44/4885CYP19A1 1/4885
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 CYP11B1 27/4885CYP11B2 44/4885CYP19A1 1/4885
US-20130203826-A1 Pure Intermediate CYP19A1, CYP11A1, CYP11B1 CYP11B1 3/4885CYP11B2 4/4885CYP19A1 1/4885
US-20060128775-A1 Regiospecific process for the preparation of 4-[1- (4-cyanophenyl)-1-(1,2,4-triazol-1-yl) methyl] benzonitrile CYP4B1, KDM4B, CYP3A4 CYP11B1 857/4885CYP11B2 1266/4885CYP19A1 1741/4885
US-20050209294-A1 Process for producing 4-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile CYP19A1, NR5A1, KCNK4 CYP11B1 164/4885CYP11B2 306/4885CYP19A1 1/4885
US-20100190997-A1 Process for the Preparation of Letrozole CYP19A1, CYP11A1, HSD17B11 CYP11B1 5/4885CYP11B2 13/4885CYP19A1 1/4885

“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.