Sugi Predict

Sugi Predict / Compounds / SCHEMBL3433075

SCHEMBL3433075

SCHEMBL3433075

N#Cc1ccc(C(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.67
▸ CA1 P00915 2/20 0.67
▸ GSK3B P49841 2/20 0.59
▸ PARP15 Q460N3 1/20 0.53
▸ PARP10 Q53GL7 1/20 0.53
▸ PARP2 Q9UGN5 1/20 0.53
▸ CA12 O43570 1/20 0.52
▸ CA3 P07451 1/20 0.52
▸ CA6 P23280 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ CA14 Q9ULX7 1/20 0.52
▸ MAPT P10636 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ ESR1 P03372 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ SRD5A2 P31213 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HTT P42858 1/20 0.48

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
SCHEMBL5962921 0.91 CA2 (0.70) CA2CA1GSK3BPARP15PARP10
SCHEMBL3215328 0.91 ALDH1A1 (0.61) CA2CA1GSK3BMAPTALDH1A1
SCHEMBL2882745 0.89 CA2 (0.55) CA2CA1GSK3BPARP15PARP10
SCHEMBL507820 0.89 ALDH1A1 (0.67) CA2CA1GSK3BPARP15PARP10
SCHEMBL11466466 0.89 CA2 (0.55) CA2CA1GSK3BPARP15PARP10
SCHEMBL9183599 0.89 CA2 (0.55) CA2CA1GSK3BPARP15PARP10
SCHEMBL13403832 0.89 CA2 (0.55) CA2CA1GSK3BPARP15PARP10
SCHEMBL4811505 0.89 CA1 (0.55) CA2CA1GSK3BPARP15PARP10
SCHEMBL9694596 0.89 TSHR (0.59) CA2CA1GSK3BPARP15PARP10
SCHEMBL7935350 0.89 VNN1 (0.60) CA2CA1GSK3BPARP15PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102341379-A Derivatives of benzothiazines, preparation thereof and application thereof as drugs PF MEDICAMENT 2012-02-01 — — CN claimed
WO-2010146391-A1 REGIOSELECTIVE SYNTHESIS OF LETROZOLE GENERICS [UK] LIMITED (GB) 2010-12-23 — — WO claimed
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 claimed
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 claimed
US-20260071118-A1 Nonlinear Optical Chromophores Containing Furanyl Accepting Groups, and Methods of Making and Using the Same LIGHTWAVE LOGIC, INC. (US) 2026-03-12 — — US disclosed
US-12552754-B1 Leflutrozole compositions of matter and processes for preparation ReproNovo SA (CH) 2026-02-17 — — US disclosed
US-20250188043-A1 LEFLUTROZOLE COMPOSITIONS OF MATTER AND PROCESSES FOR PREPARATION ReproNovo SA (CH) 2025-06-12 — — US disclosed
WO-2025059098-A2 PHOTOCATALYTIC CARBOXYLATION OF SUBSTRATES WITH CARBON OXIDE NEW IRIDIUM INC. (US) 2025-03-20 — — WO disclosed
CN-119264179-A Complex and preparation method and application thereof 中国石油化工股份有限公司 2025-01-07 — — CN disclosed
CN-116438244-B Crosslinkable organosiloxanes alkane modified reaction resins 瓦克化学股份公司 2024-08-30 — — CN disclosed
CN-116438244-A Crosslinkable organosiloxane modified reactive resins 瓦克化学股份公司 2023-07-14 — — CN disclosed
CN-109790105-B Material for organic electroluminescent device 默克专利有限公司 2023-04-18 — — CN disclosed
EP-0408509-B1 Substituted benzonitriles CIBA GEIGY AG (CH) 1996-03-06 — — EP disclosed
US-5378721-A AROMATASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1995-01-03 — — US disclosed
EP-0594644-A1 ANISOTROPIC CONDUCTIVE ADHESIVE FILM. MINNESOTA MINING & MFG (US) 1994-05-04 — — EP disclosed
US-5246952-A Antitumor agents CIBA-GEIGY CORPORATION (US) 1993-09-21 — — US disclosed
WO-1993001248-A1 ANISOTROPIC CONDUCTIVE ADHESIVE FILM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-01-21 — — WO disclosed
EP-0477141-A1 Heteroarylmethylbenzols aromatase inhibitors CIBA-GEIGY AG (CH) 1992-03-25 — — 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 (4 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-12552754-B1 Leflutrozole compositions of matter and processes for preparation CYP19A1, CYP17A1, SHBG CA2 2489/4885CA1 1803/4885GSK3B 249/4885
US-20260071118-A1 Nonlinear Optical Chromophores Containing Furanyl Accepting Groups, and Methods of Making and Using the Same SCO2, HCN2, NCL CA2 437/4885CA1 965/4885GSK3B 3789/4885
US-20250188043-A1 LEFLUTROZOLE COMPOSITIONS OF MATTER AND PROCESSES FOR PREPARATION CYP19A1, SHBG, CYP11A1 CA2 2055/4885CA1 618/4885GSK3B 348/4885
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 CA2 2649/4885CA1 2059/4885GSK3B 1167/4885

“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.