Sugi Predict

Sugi Predict / Compounds / SCHEMBL690958

SCHEMBL690958

SCHEMBL690958

N#Cc1ccc(Cc2nc[nH]n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.54
▸ LOXL2 Q9Y4K0 2/20 0.44
▸ CYP2A6 P11509 1/20 0.42
▸ SAE1 Q9UBE0 1/20 0.40
▸ UBA2 Q9UBT2 1/20 0.40
▸ CYP19A1 P11511 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ CDC7 O00311 1/20 0.38
▸ DBF4 Q9UBU7 1/20 0.38
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ HTT P42858 1/20 0.37

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
Hydrochloric Acid SCHEMBL690028 0.98 HRH3 (0.53) HRH3LOXL2CYP2A6SAE1UBA2
SCHEMBL28833064 0.95 HRH3 (0.50) HRH3LOXL2CYP2A6SAE1UBA2
SCHEMBL19877208 0.84 KCNJ1 (0.42) HRH3LOXL2CYP2A6CYP19A1KDM4E
SCHEMBL6526163 0.77 CYP19A1 (0.41) HRH3LOXL2CYP2A6CYP19A1KDM4E
SCHEMBL3915675 0.76 CYP3A4 (0.50) HRH3LOXL2CYP19A1ALDH1A1MAOB
SCHEMBL7427842 0.76 ESR1 (0.50) KDM4EALDH1A1HTT
SCHEMBL835981 0.75 TAAR1 (0.47) HRH3ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL29002885 0.74 HRH3 (0.53) HRH3LOXL2CYP2A6SAE1UBA2
SCHEMBL9851981 0.73 L3MBTL1 (0.54) CYP2A6ALDH1A1MAOBCDC7DBF4
SCHEMBL1344068 0.73 LOXL2 (0.65) HRH3LOXL2CYP2A6SAE1UBA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198460-B2 Process for preparation of letrozole and its intermediates FRESENIUS KABI ONCOLOGY LTD. (IN) 2012-06-12 — — US claimed
EP-2212301-B1 AN IMPROVED PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES FRESENIUS KABI ONCOLOGY LTD (IN) 2012-02-29 — — EP claimed
WO-2011000396-A1 PURIFICATION OF LETROZOLE INTERMEDIATE SYNTHON B.V. (NL) 2011-01-06 — — WO claimed
US-20100234617-A1 PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES FRESENIUS KABI ONCOLOGY LTD. (IN) 2010-09-16 — — US claimed
EP-2212301-A1 AN IMPROVED PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES Fresenius Kabi Oncology Limited (IN) 2010-08-04 — — EP claimed
US-7705159-B2 Process for the preparation of letrozole SICOR, INC. (US) 2010-04-27 — — US claimed
WO-2009069140-A1 AN IMPROVED PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES DABUR PHARMA LIMITED (IN) 2009-06-04 — — WO claimed
EP-1871750-A1 IMPROVED PROCESS FOR THE PREPARATION OF LETROZOLE Sicor, Inc. (US) 2008-01-02 — — EP claimed
WO-2007100346-A1 IMPROVED PROCESS FOR THE PREPARATION OF LETROZOLE SICOR, INC. (US) 2007-09-07 — — WO claimed
WO-2007090464-A1 PROCESS FOR PREPARING LETROZOLE SOLMAG S.P.A. (IT) 2007-08-16 — — WO claimed
US-20070066831-A1 Process for the preparation of letrozole SICOR, INC. 2007-03-22 — — US claimed
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 claimed
US-5352795-A Condensing triazolylmethylbenzonitrile with fluorobenzonitrile under basic conditions using alkali metal alkoxide CIBA-GEIGY CORPORATION (US) 1994-10-04 — — US claimed
CN-1049157-A The preparation method of cycloalkanylpyrrole SCHERING AG (DE) 1991-02-13 — — CN claimed
US-20190192485-A1 DOSAGE REGIMEN FOR THE TREATMENT OF ENDOMETRIOSIS MEREO BIOPHARMA 2 LIMITED (GB) 2019-06-27 — — US disclosed
CN-109641057-A For treating the dosage of endometriosis 梅里奥生物制药第二有限公司 2019-04-16 — — CN disclosed
US-10064844-B2 Pharmaceutical compositions comprising an aromatse inhibitors MEREO BIOPHARMA 2 LIMITED (GB) 2018-09-04 — — 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 (5 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 HRH3 2001/4885LOXL2 4675/4885CYP2A6 163/4885
US-10064844-B2 Pharmaceutical compositions comprising an aromatse inhibitors CYP19A1, CYP1B1, SULT1E1 HRH3 1877/4885LOXL2 4499/4885CYP2A6 42/4885
US-20190192485-A1 DOSAGE REGIMEN FOR THE TREATMENT OF ENDOMETRIOSIS CYP19A1, GPER1, CCNH HRH3 271/4885LOXL2 4643/4885CYP2A6 170/4885
US-20050209294-A1 Process for producing 4-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile CYP19A1, NR5A1, KCNK4 HRH3 834/4885LOXL2 3017/4885CYP2A6 924/4885
US-20100234617-A1 PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES CYP19A1, CYP4B1, CYP3A4 HRH3 3971/4885LOXL2 3509/4885CYP2A6 36/4885

“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.