Sugi Predict

Sugi Predict / Compounds / SCHEMBL3323673

SCHEMBL3323673

SCHEMBL3323673

CC(C)(C)OC(=O)Nc1cc(I)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.46
▸ GSK3B P49841 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ IGF1R P08069 1/20 0.40
▸ CYP17A1 P05093 2/20 0.40
▸ TGFBR1 P36897 1/20 0.40
▸ AAK1 Q2M2I8 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ GABRG2 P18507 2/20 0.38
▸ GABRB3 P28472 2/20 0.38
▸ GABRA5 P31644 2/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ CCR2 P41597 1/20 0.38
▸ PIK3C3 Q8NEB9 1/20 0.38
▸ GABRA1 P14867 1/20 0.38

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
SCHEMBL30633355 1.00 ATR (0.46) ATRGSK3BDYRK1AIRAK4JAK2
SCHEMBL16705406 0.84 JAK2 (0.55) JAK2JAK1TYK2AAK1PIK3C3
SCHEMBL1192656 0.83 ATR (0.50) ATRGSK3BDYRK1AIRAK4JAK2
SCHEMBL30953487 0.83 ATR (0.50) ATRGSK3BDYRK1AIRAK4JAK2
SCHEMBL828560 0.83 TP53 (0.51) —
SCHEMBL7909650 0.82 ATR (0.46) ATRGSK3BDYRK1AIRAK4JAK2
SCHEMBL437390 0.82 ATR (0.52) ATRGSK3BDYRK1AIRAK4JAK2
SCHEMBL29840658 0.82 ATR (0.52) ATRGSK3BDYRK1AIRAK4JAK2
SCHEMBL29393227 0.82 ATR (0.46) ATRGSK3BDYRK1AIRAK4IGF1R
SCHEMBL1133582 0.82 ATR (0.46) ATRGSK3BDYRK1AIRAK4IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 — — US disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 — — WO disclosed
WO-2023202625-A1 FGFR2 INHIBITOR AND METHOD FOR USING SAME 深圳福沃药业有限公司 2023-10-26 — — WO disclosed
CN-116903628-A FGFR2 inhibitors and methods of use 深圳福沃药业有限公司 2023-10-20 — — CN disclosed
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 — — EP disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 — — US disclosed
US-20140155415-A1 BENZODIOXEPINE AND BENZODIOXINE COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. 2014-06-05 — — US disclosed
US-20140155415-A1 BENZODIOXEPINE AND BENZODIOXINE COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. 2014-06-05 — — US disclosed
US-8722709-B2 Mineralocorticoid receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-13 — — US disclosed
US-8722709-B2 Mineralocorticoid receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-13 — — US disclosed
US-7157490-B2 Phenylalanine derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-01-02 — — US disclosed
US-7125888-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-10-24 — — US disclosed
CN-1735605-A Phenylalanine derivative is used for the treatment of or prevent diabetes as depeptidyl peptidase inhibitors MERCK & CO INC (US) 2006-02-15 — — CN disclosed
EP-1503757-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2005-11-16 — — EP disclosed
US-20050222140-A1 Phenylalanine derivatives as depeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2005-10-06 — — US disclosed
EP-1562925-A1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-08-17 — — EP disclosed
US-20050176753-A1 controlling signal transduction; anticancer agents; antitumor agnets; atherosclerosis; vision defects; antidiabetic agents; antiinflammatory agents MERCK SHARP & DOHME CORP. 2005-08-11 — — US disclosed
EP-1503757-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-02-09 — — EP disclosed
WO-2004043940-A1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-05-27 — — WO disclosed
WO-2003092595-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC (US) 2003-11-13 — — 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 (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-20250296915-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP ATR 2764/4885GSK3B 4425/4885DYRK1A 2137/4885
US-20050176753-A1 controlling signal transduction; anticancer agents; antitumor agnets; atherosclerosis; vision defects; antidiabetic agents; antiinflammatory agents IRAK4, MAP3K4, MAP3K1 ATR 189/4885GSK3B 659/4885DYRK1A 1305/4885
US-20140155415-A1 BENZODIOXEPINE AND BENZODIOXINE COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES GCKR, GCK, PDK2 ATR 4616/4885GSK3B 2229/4885DYRK1A 420/4885
US-20050222140-A1 Phenylalanine derivatives as depeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 ATR 4323/4885GSK3B 1703/4885DYRK1A 2175/4885

“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.