SCHEMBL1507964

SCHEMBL1507964

N#Cc1ccc(C(c2ccc(C#N)cc2)c2nnc[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.46
NOTUM Q6P988 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP11B1 P15538 1/20 0.35
TSHR P16473 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP2C19 P33261 1/20 0.35
OPRD1 P41143 1/20 0.33

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
SCHEMBL9165234 0.92 ALDH1A1 (0.47) CYP19A1CYP3A4CYP2C19
SCHEMBL9161325 0.92 CYP19A1 (0.41) CYP19A1NOTUMHRH3CYP3A4CYP11B1
SCHEMBL9161362 0.89 CYP19A1 (0.49) CYP19A1
SCHEMBL9159543 0.87 CYP19A1 (0.37) CYP19A1
SCHEMBL9164675 0.86 CYP19A1 (0.68) CYP19A1CYP3A4CYP11B1CYP11B2
SCHEMBL9165090 0.84 CYP19A1 (0.38) CYP19A1TSHROPRD1
SCHEMBL9167265 0.83 CYP19A1 (0.37) CYP19A1
SCHEMBL9164614 0.81 GUSB (0.37) CYP19A1CYP11B1CYP11B2
SCHEMBL9164635 0.81 GABRG2 (0.39) CYP19A1NOTUMHRH3TSHR
SCHEMBL5597463 0.74 CYP19A1 (0.51) CYP19A1NOTUMCYP3A4CYP11B1TSHR

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0236940-B3 Alpha-heterocycle substituted tolunitriles NOVARTIS AG (CH) 2011-03-23 EP disclosed
US-7538230-B2 Letrozole production process CHEMAGIS LTD. (IL) 2009-05-26 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-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-5473078-A Aromatase inhibiting compounds CIBA-GEIGY CORPORATION (US) 1995-12-05 US disclosed
US-5352795-A Condensing triazolylmethylbenzonitrile with fluorobenzonitrile under basic conditions using alkali metal alkoxide CIBA-GEIGY CORPORATION (US) 1994-10-04 US disclosed
EP-0236940-B1 ALPHA-HETEROCYCLE SUBSTITUTED TOLUNITRILES CIBA-GEIGY AG (CH) 1993-09-22 EP disclosed
US-5112845-A Inhibitors of estrogen synthesis, veterinary medicine CIBA-GEIGY CORPORATION (US) 1992-05-12 US disclosed
US-5071861-A Aromatase enzyme inhibitor; antiestrogens CIBA-GEIGY CORPORATION (US) 1991-12-10 US disclosed
US-4978672-A Alpha-heterocyclc substituted tolunitriles CIBA-GEIGY CORPORATION (US) 1990-12-18 US disclosed
US-4937250-A AROMATASE ENZYME INHIBITORS CIBA-GEIGY CORPORATION (US) 1990-06-26 US disclosed
US-4749713-A Alpha-heterocycle substituted tolunitriles CIBA-GEIGY CORPORATION (US) 1988-06-07 US disclosed
EP-0236940-A2 Alpha-heterocycle substituted tolunitriles CIBA-GEIGY AG (CH) 1987-09-16 EP 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 (2 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-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 1/4885NOTUM 1207/4885HRH3 4749/4885
US-20070112202-A1 Letrozole production process CYP19A1, CDK14, CDK19 CYP19A1 1/4885NOTUM 1745/4885HRH3 3360/4885

“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.