SCHEMBL1507799

SCHEMBL1507799

N#Cc1ccc(C(c2ccc(C#N)cc2)c2nc[nH]n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.46
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
ALDH1A1 P00352 1/20 0.32
CYP2A6 P11509 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL9165088 0.92 CA12 (0.47) CYP19A1CA12CA2CA3CA6
SCHEMBL9165274 0.92 ALDH1A1 (0.47) CYP19A1CYP3A4CYP2C19ALDH1A1CYP2A6
SCHEMBL8767389 0.92 CYP19A1 (0.41) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL9167057 0.90 CYP19A1 (0.47) CYP19A1ALDH1A1
SCHEMBL9159563 0.89 KIF11 (0.47) CYP19A1CYP3A4
SCHEMBL9158480 0.87 CYP19A1 (0.37) CYP19A1ALDH1A1
SCHEMBL9163503 0.86 CYP19A1 (0.68) CYP19A1CYP3A4CYP11B1CYP11B2CYP2C19
SCHEMBL1552746 0.84 CYP19A1 (0.38) CYP19A1TSHROPRD1
SCHEMBL9160207 0.83 CYP19A1 (0.37) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL9163386 0.83 AHR (0.38) CYP19A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0907351-B2 COSMETIC OR COSMETIC PREPARATION FOR SMOOTHING AND TIGHTENING THE SKIN IN THE CASE OF SUBCUTANEOUS FATTY TISSUE PROBLEMS, PARTICULARLY CELLULITE KEYVEST GMBH (DE) 2012-04-18 EP claimed
JP-4716728-B2 2011-07-06 JP claimed
EP-0236940-B3 Alpha-heterocycle substituted tolunitriles NOVARTIS AG (CH) 2011-03-23 EP claimed
EP-1534265-B1 COMBINATION OF AN AROMATASE INHIBITOR WITH A BISPHOSPHONATE NOVARTIS AG (CH) 2006-11-22 EP claimed
US-20060148772-A1 Combination EVANS ASTRID H 2006-07-06 US claimed
US-20060069067-A1 Combination of an aromatase inhibitor with a bisphosphonate NOVARTIS PHARMACEUTICALS CORPORATION 2006-03-30 US claimed
EP-1534265-A1 COMBINATION OF AN AROMATASE INHIBITOR WITH A BISPHOSPHONATE Novartis AG (CH) 2005-06-01 EP claimed
WO-2004012728-A1 COMBINATION OF AN AROMATASE INHIBITOR WITH A BISPHOSPHONATE NOVARTIS AG (CH) 2004-02-12 WO claimed
US-6245812-B1 Treatment of hot flashes (flushing) using leucine alone or in combination with other branched chain amino acids CHARLOTTE LABORATORIES, LLC 2001-06-12 US claimed
US-5583128-A ADMINISTERING A SIDE EFFECT REDUCED AROMATASE INHIBITOR CIBA-GEIGY CORPORATION (US) 1996-12-10 US claimed
US-5352795-A Condensing triazolylmethylbenzonitrile with fluorobenzonitrile under basic conditions using alkali metal alkoxide CIBA-GEIGY CORPORATION (US) 1994-10-04 US claimed
EP-0236940-B1 ALPHA-HETEROCYCLE SUBSTITUTED TOLUNITRILES CIBA-GEIGY AG (CH) 1993-09-22 EP claimed
WO-1992018132-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1992-10-29 WO claimed
US-4978672-A Alpha-heterocyclc substituted tolunitriles CIBA-GEIGY CORPORATION (US) 1990-12-18 US claimed
CN-118058233-B Batch production method for improving sow farrowing rate or live birth number 中国农业大学 2024-07-16 CN disclosed
CN-118058233-A Batch production method for improving sow farrowing rate or live birth number 中国农业大学 2024-05-24 CN disclosed
US-11974977-B2 Composition and uses for influencing hair growth LUCOLAS—M.D. LTD (GB) 2024-05-07 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-20060148772-A1 Combination ERBB2, EGFR, ERBB3 CYP19A1 5/4885CYP3A4 1330/4885CYP11B1 156/4885
US-20060069067-A1 Combination of an aromatase inhibitor with a bisphosphonate CYP19A1, BRCA1, SHBG CYP19A1 1/4885CYP3A4 909/4885CYP11B1 81/4885

“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.