SCHEMBL104535

SCHEMBL104535

Fc1ccc(-c2cn[nH]c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 7/20 0.61
AKT1 P31749 1/20 0.61
ROCK2 O75116 8/20 0.51
ROCK1 Q13464 3/20 0.50
MYLK4 Q86YV6 1/20 0.50
PDPK1 O15530 1/20 0.48
ACVR1 Q04771 1/20 0.44

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
SCHEMBL16432987 0.88 AKT2 (0.76) AKT2AKT1ROCK2ROCK1ACVR1
SCHEMBL15689115 0.88 AKT2 (0.76) AKT2AKT1ROCK2ROCK1ACVR1
SCHEMBL27674394 0.82 AKT2 (0.56) AKT2AKT1ROCK2ROCK1MYLK4
SCHEMBL3740850 0.80 AKT2 (0.70) AKT2AKT1ROCK2ACVR1
SCHEMBL9977893 0.79 AKT1 (0.48) AKT2AKT1ROCK2PDPK1
SCHEMBL30737880 0.79 AKT1 (0.48) AKT2AKT1ROCK2PDPK1
SCHEMBL16872766 0.79 AKT2 (0.95) AKT2AKT1ROCK2
SCHEMBL1978062 0.78 ROCK2 (0.55) AKT2AKT1ROCK2ROCK1MYLK4
SCHEMBL20588075 0.77 AKT2 (0.61) AKT2AKT1ROCK2ROCK1ACVR1
SCHEMBL4582237 0.77 AKT2 (0.61) AKT2AKT1ROCK2ROCK1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003051906-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-06-26 WO claimed
US-12358878-B2 N-aromatic amide compounds, preparation methods and uses thereof SHENZHEN EDK PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2025-07-15 US disclosed
CN-119654324-A Novel compounds as hypoxia inducible factor 1 (HIF-1) inhibitors or Vascular Endothelial Growth Factor (VEGF) inhibitors and pharmaceutical compositions comprising the same 株式会社次代生物科学 2025-03-18 CN disclosed
US-12215086-B2 Selective androgen receptor degrader (SARD) ligands and methods of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2025-02-04 US disclosed
EP-3858811-B1 N-AROMATIC AMIDES COMPOUND AND PREPARATION METHOD AND USE THEREOF SHENZHEN EDK PHARMACEUTICAL TECH CO LTD (CN) 2024-07-17 EP disclosed
US-20230382870-A1 N-AROMATIC AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF SHENZHEN EDK PHARMACEUTICAL TECH CO LTD (CN) 2023-11-30 US disclosed
US-20230382870-A1 N-AROMATIC AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF SHENZHEN EDK PHARMACEUTICAL TECH CO LTD (CN) 2023-11-30 US disclosed
US-20230382870-A1 N-AROMATIC AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF SHENZHEN EDK PHARMACEUTICAL TECH CO LTD (CN) 2023-11-30 US disclosed
US-11760727-B2 N-aromatic amide compounds, preparation methods and uses thereof SHENZHEN EDK PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-09-19 US disclosed
US-11760727-B2 N-aromatic amide compounds, preparation methods and uses thereof SHENZHEN EDK PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-09-19 US disclosed
WO-2010007966-A1 AZOLE COMPOUND アステラス製薬株式会社 (JP) 2010-01-21 WO disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US disclosed
CN-101365692-A Novel antifungal triazole derivatives DAE WOONG PHARMA (KR) 2009-02-11 CN disclosed
US-20080287440-A1 Novel Antifungal Triazole Derivatives DAEWOONG PHARMACEUTIDCAL CO., LTD. (KR) 2008-11-20 US disclosed
EP-1951705-A1 NOVEL ANTIFUNGAL TRIAZOLE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-08-06 EP disclosed
CN-101001846-A Novel alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2007-07-18 CN disclosed
WO-2007052943-A1 NOVEL ANTIFUNGAL TRIAZOLE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2007-05-10 WO disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 WO disclosed
WO-2003051906-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-06-26 WO 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 (6 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-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 AKT2 2795/4885AKT1 2934/4885ROCK2 2959/4885
US-12215086-B2 Selective androgen receptor degrader (SARD) ligands and methods of use thereof AR, BRCA1, AHR AKT2 4119/4885AKT1 3478/4885ROCK2 4230/4885
US-20230382870-A1 N-AROMATIC AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF H1-3, H1-0, NAT1 AKT2 3756/4885AKT1 3507/4885ROCK2 3414/4885
US-11760727-B2 N-aromatic amide compounds, preparation methods and uses thereof AR, BPHL, CYP19A1 AKT2 2576/4885AKT1 2749/4885ROCK2 2819/4885
US-20080287440-A1 Novel Antifungal Triazole Derivatives CYP51A1, ERG28, CYP3A43 AKT2 3444/4885AKT1 3851/4885ROCK2 3466/4885
US-12358878-B2 N-aromatic amide compounds, preparation methods and uses thereof H1-3, H1-0, NAT1 AKT2 3756/4885AKT1 3507/4885ROCK2 3414/4885

“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.