SCHEMBL2348017

SCHEMBL2348017

N#Cc1ccc(C(c2ccc(C#N)cc2)n2cnnn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 20/20 0.61
CYP3A4 P08684 1/20 0.57
CYP11B1 P15538 1/20 0.57
TSHR P16473 1/20 0.57
CYP11B2 P19099 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL14565224 0.78 CYP19A1 (0.48) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL9945342 0.76 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL946685 0.74 CYP19A1 (0.64) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL29079510 0.72 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL178028 0.72 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL5326636 0.72 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL4331 0.72 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL9196331 0.72 CYP19A1 (0.68) CYP19A1CYP11B1CYP11B2
Letrozole SCHEMBL28081077 0.71 CYP19A1 (0.97) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL1026263 0.71 CYP19A1 (0.97) 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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0408509-B1 Substituted benzonitriles CIBA GEIGY AG (CH) 1996-03-06 EP claimed
US-5073574-A TETRAZOLYL SUBSTITUTED BENZONITRILES AND ANTI-TUMOR USE THEREOF CIBA-GEIGY CORPORATION (US) 1991-12-17 US claimed
EP-0408509-A2 Substituted benzonitriles CIBA-GEIGY AG (CH) 1991-01-16 EP claimed
US-20210109085-A1 METHODS FOR PREDICTING ER-MEDIATED DNA DAMAGE UNIVERSITY OF MASSACHUSETTS 2021-04-15 US disclosed
US-8871750-B2 Use of aromatase inhibitors for endometrial thinning in preparation for surgical procedures on the endometrial cavity and uterus WAYNE STATE UNIVERSITY (US) 2014-10-28 US disclosed
US-8008333-B2 Inducing ovulation; increasing response to follicle stimulating hormone ARES TRADING S.A. (CH) 2011-08-30 US disclosed
US-7846957-B2 Aromatase inhibition to enhance assisted reproduction ARES TRADING S.A. (CH) 2010-12-07 US disclosed
US-7820706-B2 Multiple dose aromatase inhibitor for treating infertility ARES TRADING S.A. (CH) 2010-10-26 US disclosed
US-20100105640-A1 Aromatase Inhibitors for Emergency Contraception CASPER ROBERT F 2010-04-29 US disclosed
EP-1898923-A4 AROMATASE INHIBITORS FOR EMERGENCY CONTRACEPTION CASPER ROBERT F (CA) 2009-05-20 EP disclosed
EP-1804805-A4 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY UNIV WAYNE STATE (US) 2008-08-13 EP disclosed
US-5637605-A ANTITUMOR AGENTS CIBA GEIGY CORPORATION (US) 1997-06-10 US disclosed
US-5583128-A ADMINISTERING A SIDE EFFECT REDUCED AROMATASE INHIBITOR CIBA-GEIGY CORPORATION (US) 1996-12-10 US disclosed
EP-0408509-B1 Substituted benzonitriles CIBA GEIGY AG (CH) 1996-03-06 EP disclosed
US-5457209-A Antitumor agents CIBA-GEIGY CORPORATION (US) 1995-10-10 US disclosed
US-5376669-A Antitumor agents CIBA-GEIGY CORP. (US) 1994-12-27 US disclosed
US-5227393-A estrogen-dependent diseases, anticancer CIBA-GEIGY CORPORATION (US) 1993-07-13 US disclosed
EP-0490816-A2 Fluoro-compounds CIBA-GEIGY AG (CH) 1992-06-17 EP disclosed
US-5073574-A TETRAZOLYL SUBSTITUTED BENZONITRILES AND ANTI-TUMOR USE THEREOF CIBA-GEIGY CORPORATION (US) 1991-12-17 US disclosed
EP-0408509-A2 Substituted benzonitriles CIBA-GEIGY AG (CH) 1991-01-16 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 (1 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-20100105640-A1 Aromatase Inhibitors for Emergency Contraception CYP19A1, SHBG, HSD17B11 CYP19A1 1/4885CYP3A4 32/4885CYP11B1 20/4885

“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.