SCHEMBL20438003

SCHEMBL20438003

c1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc3nc[nH]c3c2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NEK1 Q96PY6 1/20 0.67
▸ IGF1R P08069 8/20 0.64
▸ ULK1 O75385 1/20 0.61
▸ PDK1 Q15118 1/20 0.61
▸ ULK2 Q8IYT8 1/20 0.61
▸ AKT1 P31749 1/20 0.61
▸ TGFBR1 P36897 1/20 0.61
▸ GSK3A P49840 1/20 0.61
▸ GSK3B P49841 1/20 0.61
▸ STK4 Q13043 1/20 0.61
▸ STK3 Q13188 1/20 0.61
▸ BMPR2 Q13873 1/20 0.61
▸ STK26 Q9P289 1/20 0.61
▸ STK24 Q9Y6E0 1/20 0.61
▸ CCNK O75909 1/20 0.60
▸ CDK13 Q14004 1/20 0.60
▸ CDK12 Q9NYV4 1/20 0.60
▸ SRC P12931 2/20 0.59
▸ PAK4 O96013 2/20 0.55
▸ PAK1 Q13153 2/20 0.55

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
SCHEMBL12060071 0.92 NEK1 (0.67) NEK1IGF1RAKT1TGFBR1GSK3A
SCHEMBL12045464 0.83 IGF1R (0.54) NEK1IGF1RULK1PDK1ULK2
SCHEMBL16081590 0.81 NEK1 (0.79) NEK1IGF1RULK1AKT1TGFBR1
SCHEMBL1164159 0.80 NEK1 (0.68) NEK1IGF1RULK1AKT1TGFBR1
SCHEMBL15217634 0.80 PAK1 (0.69) NEK1IGF1RAKT1TGFBR1GSK3A
SCHEMBL15217672 0.80 PAK1 (0.61) NEK1IGF1RPAK4PAK1
SCHEMBL15209036 0.79 PAK1 (0.60) NEK1IGF1RPAK4PAK1
SCHEMBL15217671 0.79 PAK1 (0.60) NEK1IGF1RCCNKCDK13CDK12
SCHEMBL15217688 0.79 PAK1 (0.60) NEK1IGF1RPAK4PAK1
SCHEMBL19654491 0.79 ULK1 (0.71) IGF1RULK1PDK1ULK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151443-A1 ENDOXIFEN FOR TREATMENT OF RARE CANCERS ATOSSA THERAPEUTICS, INC. (US) 2025-07-17 — — WO claimed
US-20240301429-A1 COMPOSITIONS COMPRISING SASP MODULATORS AND SENESCENCE ATTENUATORS AND USES THEREOF FOR MODULATING CELLULAR SENESCENCE RSEM, LIMITED PARTNERSHIP (CA) 2024-09-12 — — US claimed
CN-117547511-A Sugar response liposome, oriented electrospun membrane for bone regeneration in diabetes environment and preparation method thereof 苏州大学附属第一医院 2024-02-13 — — CN claimed
CN-115969855-B Application of APY29 in preparation of RSK4 kinase inhibitor 中国人民解放军空军军医大学 2024-01-26 — — CN claimed
CN-116531382-B Application of APY29 in preparation of medicine for treating esophageal squamous carcinoma 中国人民解放军空军军医大学 2023-10-10 — — CN claimed
WO-2023163497-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING COLORECTAL CANCER COMPRISING EDNRA INHIBITOR AS ACTIVE INGREDIENT 한국생명공학연구원 2023-08-31 — — WO claimed
CN-116531382-A Application of APY29 in preparation of medicine for treating esophageal squamous carcinoma 中国人民解放军空军军医大学 2023-08-04 — — CN claimed
US-20230190745-A1 USE OF METABOLIC REGULATORS FOR THE TREATMENT OF COVID-19 YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2023-06-22 — — US claimed
CN-115969855-A Application of APY29 in preparation of RSK4 kinase inhibitor 中国人民解放军空军军医大学 2023-04-18 — — CN claimed
WO-2023023538-A2 TREATING TISSUE INFLAMMATION MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2023-02-23 — — WO claimed
CN-113262230-B Targeted pig streptococcus serine and threonine protein kinase inhibitor and application thereof 华中农业大学 2022-06-17 — — CN claimed
CN-113262230-A Targeted pig streptococcus serine and threonine protein kinase inhibitor and application thereof 华中农业大学 2021-08-17 — — CN claimed
US-20260140118-A1 COMBINATION DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2026-05-21 — — US disclosed
EP-3368037-B1 NOVEL METHODS OF TREATING HEARING LOSS UNIV CALIFORNIA (US) 2026-04-08 — — EP disclosed
US-20250382291-A1 SUBSTITUTED PYRROLO[2,3-b]PYRIDINES FOR SUPPRESSING TOXIC ENDOPLASMIC RETICULUM STRESS UNIV COLUMBIA (US) 2025-12-18 — — US disclosed
WO-2025151443-A1 ENDOXIFEN FOR TREATMENT OF RARE CANCERS ATOSSA THERAPEUTICS, INC. (US) 2025-07-17 — — WO disclosed
EP-3656382-A1 PERK AND IRE-1A INHIBITORS AGAINST NEURODEVELOPMENTAL DISORDERS Université de Liège (BE) 2020-05-27 — — EP disclosed
US-20190038597-A1 PREVENTION OF VASCULAR AND CARDIAC FIBROSIS VIA IRE1ALPHA INHIBITION MCMASTER UNIVERSITY (CA) 2019-02-07 — — US disclosed
US-20190038597-A1 PREVENTION OF VASCULAR AND CARDIAC FIBROSIS VIA IRE1ALPHA INHIBITION MCMASTER UNIVERSITY (CA) 2019-02-07 — — US disclosed
WO-2018138358-A1 PERK AND IRE-1A INHIBITORS AGAINST NEURODEVELOPMENTAL DISORDERS Université de Liège (BE) 2018-08-02 — — 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 (3 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-20250382291-A1 SUBSTITUTED PYRROLO[2,3-b]PYRIDINES FOR SUPPRESSING TOXIC ENDOPLASMIC RETICULUM STRESS HSPA5, ATP2A1, DNAJC10 NEK1 2601/4885IGF1R 2902/4885ULK1 382/4885
US-20260140118-A1 COMBINATION DRUG FGFR1, FGFR3, FGFR2 NEK1 3248/4885IGF1R 53/4885ULK1 2160/4885
US-20190038597-A1 PREVENTION OF VASCULAR AND CARDIAC FIBROSIS VIA IRE1ALPHA INHIBITION XBP1, ERN1, ERN2 NEK1 2790/4885IGF1R 1313/4885ULK1 1383/4885

“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.

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