SCHEMBL29384408

SCHEMBL29384408

CCn1c(=O)c(-c2ccc(-c3cncs3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 6/20 1.00
PKN1 Q16512 5/20 1.00
PAK2 Q13177 4/20 1.00
PAK3 O75914 3/20 1.00
PAK4 O96013 4/20 0.76
WEE1 P30291 1/20 0.68
CDK4 P11802 3/20 0.55
CCND1 P24385 3/20 0.55
CCND2 P30279 3/20 0.55
CCND3 P30281 3/20 0.55
FGFR1 P11362 3/20 0.54
SRC P12931 1/20 0.54
FGFR2 P21802 1/20 0.54
FGFR4 P22455 1/20 0.54
FGFR3 P22607 1/20 0.54
LIMK1 P53667 1/20 0.51
LIMK2 P53671 1/20 0.51
EGFR P00533 2/20 0.49
STK3 Q13188 1/20 0.49
SIK2 Q9H0K1 1/20 0.49

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
SCHEMBL13554062 1.00 PAK1 (1.00) PAK1PKN1PAK2PAK3PAK4
SCHEMBL14824805 0.94 PAK1 (0.89) PAK1PKN1PAK2PAK3PAK4
SCHEMBL14681933 0.92 PAK1 (0.85) PAK1PKN1PAK2PAK3PAK4
SCHEMBL14824801 0.92 PAK1 (0.85) PAK1PKN1PAK2PAK3PAK4
SCHEMBL14693006 0.92 PAK1 (0.84) PAK1PKN1PAK2PAK3PAK4
SCHEMBL1680898 0.91 PAK1 (0.84) PAK1PKN1PAK2PAK3PAK4
SCHEMBL13554061 0.91 PAK1 (0.83) PAK1PKN1PAK2PAK3PAK4
Hydrochloric Acid SCHEMBL1680884 0.91 PAK1 (0.84) PAK1PKN1PAK2PAK3PAK4
SCHEMBL13553594 0.90 PAK1 (0.81) PAK1PKN1PAK2PAK3PAK4
SCHEMBL14824806 0.89 PAK1 (0.81) PAK1PKN1PAK2PAK3PAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122028920-A Method for treating hematological cancer 丹娜-法伯癌症研究院 2026-05-12 CN claimed
WO-2025096405-A1 METHODS OF TREATING BLOOD CANCERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-05-08 WO claimed
US-20240228552-A9 NANOPORE TWEEZER APPROACH FOR PROTEIN KINASE ALLOSTERIC DRUG SCREENING UNIVERSITY OF MASSACHUSETTS 2024-07-11 US claimed
US-20240132551-A1 NANOPORE TWEEZER APPROACH FOR PROTEIN KINASE ALLOSTERIC DRUG SCREENING UNIV MASSACHUSETTS (US) 2024-04-25 US claimed
CN-117295522-A Compositions and methods for megalin inhibitors and photodynamic therapy for the treatment of cancer 香港大学 2023-12-26 CN claimed
CN-114869889-B Application of FRAX597 compound in preparation of medicines for treating Ebola virus diseases 中国人民解放军军事科学院军事医学研究院 2023-07-25 CN claimed
US-11685954-B2 Biomarkers predictive of endocrine resistance in breast cancer DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-27 US claimed
CN-114767864-B Use of Pak3 inhibitors for the treatment of remifentanil-induced incision hyperalgesia 天津医科大学总医院 2023-05-12 CN claimed
WO-2022237864-A1 COMPOSITIONS AND METHODS OF MACROPINOCYTOSIS INHIBITORS AND PHOTODYNAMIC THERAPY TO TREAT CANCERS THE UNIVERSITY OF HONG KONG (CN) 2022-11-17 WO claimed
CN-114869889-A Application of FRAX597 compound in preparation of medicine for treating Ebola virus disease 中国人民解放军军事科学院军事医学研究院 2022-08-09 CN claimed
CN-114767864-A Use of Pak3 inhibitors in the treatment of remifentanil-induced notched hyperalgesia 天津医科大学总医院 2022-07-22 CN claimed
US-20220220480-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF NLRP3 INFLAMMASOME MEDIATED IL-1BETA DEPENDENT DISORDERS INST NAT SANTE RECH MED (FR) 2022-07-14 US claimed
US-20220079948-A1 COMPOSITIONS AND METHODS FOR SUPPRESSING AND/OR TREATING HIV-INFECTION AND/OR A RELATED CLINICAL CONDITION THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2022-03-17 US claimed
EP-3956446-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF NLRP3 INFLAMMASOME MEDIATED IL-1BETA DEPENDENT DISORDERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2022-02-23 EP claimed
CN-122028920-A Method for treating hematological cancer 丹娜-法伯癌症研究院 2026-05-12 CN disclosed
EP-4735120-A2 CHEMICALLY INDUCED REPROGRAMMING TO REVERSE AGING President and Fellows of Harvard College (US) 2026-05-06 EP disclosed
US-20260034249-A1 COMPOSITIONS AND METHODS FOR MODIFYING FERTILITY THE BROAD INSTITUTE, INC. (US) 2026-02-05 US disclosed
EP-3956446-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF NLRP3 INFLAMMASOME MEDIATED IL-1BETA DEPENDENT DISORDERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2022-02-23 EP disclosed
WO-2022032071-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORPORATION (US) 2022-02-10 WO disclosed
WO-2022025827-A1 METHOD OF STIMULATING PROLIFERATION OF A CELL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-02-03 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 (2 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-20220220480-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF NLRP3 INFLAMMASOME MEDIATED IL-1BETA DEPENDENT DISORDERS LITAF, APAF1, CASP1 PAK1 11/4885PKN1 1157/4885PAK2 8/4885
US-20260034249-A1 COMPOSITIONS AND METHODS FOR MODIFYING FERTILITY PGRMC2, TAGLN2, PGRMC1 PAK1 4815/4885PKN1 685/4885PAK2 4080/4885

“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.