Sugi Predict

Sugi Predict / Compounds / SCHEMBL1553907

SCHEMBL1553907

SCHEMBL1553907

Clc1ccc2c(I)n[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 3/20 0.47
▸ TRPA1 O75762 2/20 0.46
▸ GSK3B P49841 2/20 0.44
▸ CHEK1 O14757 1/20 0.43
▸ NOS1 P29475 2/20 0.41
▸ DAO P14920 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ GPR84 Q9NQS5 1/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ FADS1 O60427 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL31735799 1.00 MAP2K4 (0.47) MAP2K4TRPA1GSK3BCHEK1NOS1
SCHEMBL5510054 0.84 FADS1 (0.49) TRPA1CHEK1NOS1GPR84FADS1
SCHEMBL14738828 0.79 MAP2K4 (0.63) MAP2K4TRPA1GSK3BCHEK1NOS1
SCHEMBL2826429 0.79 NOS1 (0.39) MAP2K4NOS1PARP1
SCHEMBL3593032 0.79 MAP2K4 (0.50) MAP2K4TRPA1GSK3BCHEK1NOS1
SCHEMBL4502873 0.78 PDPK1 (0.60) MAP2K4TRPA1GSK3BCHEK1
SCHEMBL13184208 0.76 HSP90AB1 (0.59) MAP2K4GSK3BCHEK1ALDH1A1
SCHEMBL29490946 0.76 PDPK1 (0.63) GSK3BCHEK1NOS1DYRK1A
SCHEMBL1330584 0.76 PDPK1 (0.63) GSK3BCHEK1NOS1DYRK1A
SCHEMBL14755254 0.76 AXL (0.49) GSK3BCHEK1ALDH1A1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025243044-A1 COMPOUNDS Pheno Therapeutics Limited (GB) 2025-11-27 — — WO disclosed
CN-114507215-B Compound serving as PAK4 kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2024-09-13 — — CN disclosed
CN-114507215-A Compound serving as PAK4 kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2022-05-17 — — CN disclosed
CN-108738320-B cGMP modulators for the treatment of cardiovascular diseases 默沙东公司 2021-11-19 — — CN disclosed
US-20210238173-A1 MITOGEN-ACTIVATED PROTEIN KINASE KINASE 7 INHIBITORS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-08-05 — — US disclosed
CN-112236414-A Mitogen-activated protein kinase 7 inhibitors 耶达研究及发展有限公司 2021-01-15 — — CN disclosed
EP-3394067-B1 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES MERCK SHARP & DOHME (US) 2020-04-01 — — EP disclosed
US-10428076-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2019-10-01 — — US disclosed
EP-3194387-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2019-07-31 — — EP disclosed
EP-3194387-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2019-07-31 — — EP disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 — — WO disclosed
CN-1946726-B 1, 4-diazabicyclo [3.2.1] octane carboxamide derivatives, their preparation and use in therapy SANOFI AVENTIS 2011-08-31 — — CN disclosed
EP-1709052-B1 DERIVATIVES OF 1,4-DIAZABICYCLO 3.2.1OCTANECARBOXAMIDE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2011-04-27 — — EP disclosed
US-7589201-B2 Derivatives of 1,4-diazabicyclo[3.2.1]octanecarboxamide, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-09-15 — — US disclosed
US-20070155749-A1 DERIVATIVES OF 1,4-DIAZABICYCLO[3.2.1]OCTANECARBOXAMIDE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-07-05 — — US disclosed
CN-1946726-A 1, 4-diazabicyclo [3.2.1] octane carboxamide derivatives, their preparation and use in therapy SANOFI AVENTIS (FR) 2007-04-11 — — CN disclosed
US-7101884-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-09-05 — — US disclosed
US-20050070546-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2005-03-31 — — US disclosed
WO-2003024931-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-27 — — WO disclosed
WO-2003024969-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-27 — — 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-20210238173-A1 MITOGEN-ACTIVATED PROTEIN KINASE KINASE 7 INHIBITORS MAPK7, MAP2K7, MAP3K7 MAP2K4 35/4885TRPA1 4793/4885GSK3B 470/4885
US-20070155749-A1 DERIVATIVES OF 1,4-DIAZABICYCLO[3.2.1]OCTANECARBOXAMIDE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS CNR1, CNR2, NPY1R MAP2K4 4851/4885TRPA1 314/4885GSK3B 3209/4885
US-20050070546-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 MAP2K4 356/4885TRPA1 3838/4885GSK3B 229/4885
US-10428076-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A MAP2K4 4130/4885TRPA1 1995/4885GSK3B 962/4885

“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.