SCHEMBL29385385

SCHEMBL29385385

O=C1Nc2ccccc2/C1=C/c1ccc[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 10/20 1.00
TLK2 Q86UE8 6/20 1.00
PDGFRB P09619 5/20 1.00
KDR P35968 4/20 1.00
RET P07949 4/20 1.00
FLT3 P36888 3/20 1.00
JAK3 P52333 3/20 1.00
FLT1 P17948 2/20 1.00
ALK Q9UM73 2/20 1.00
CDK5 Q00535 2/20 1.00
AURKB Q96GD4 2/20 1.00
SYK P43405 1/20 1.00
ATM Q13315 1/20 1.00
CHEK1 O14757 1/20 1.00
AURKA O14965 1/20 1.00
DAPK3 O43293 1/20 1.00
PRKD3 O94806 1/20 1.00
MAP4K4 O95819 1/20 1.00
NTRK1 P04629 1/20 1.00
LCK P06239 1/20 1.00

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
SCHEMBL30898303 1.00 PDPK1 (1.00) PDPK1TLK2PDGFRBKDRRET
SCHEMBL1162656 1.00 PDPK1 (1.00) PDPK1TLK2PDGFRBKDRRET
SCHEMBL30898301 1.00 PDPK1 (1.00) PDPK1TLK2PDGFRBKDRRET
SCHEMBL1162655 1.00 PDPK1 (1.00) PDPK1TLK2PDGFRBKDRRET
SCHEMBL13038796 1.00 PDPK1 (1.00) PDPK1TLK2PDGFRBKDRRET
SCHEMBL32676559 0.85 PDPK1 (0.74) PDPK1TLK2PDGFRBKDRRET
SCHEMBL32676535 0.85 PDPK1 (0.74) PDPK1TLK2PDGFRBKDRRET
SCHEMBL32676572 0.85 PDPK1 (0.74) PDPK1TLK2PDGFRBKDRRET
SCHEMBL7819649 0.82 PDPK1 (0.68) PDPK1TLK2PDGFRBKDRRET
SCHEMBL7819646 0.82 PDPK1 (0.68) PDPK1TLK2PDGFRBKDRRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112175041-B Ethyl QRPAK modified bis-carbolino piperazine diketone and preparation, activity and application thereof 首都医科大学(CN) 2023-01-13 CN claimed
CN-114763355-A Heptacyclic indole diketopiperazine compound, preparation, antithrombotic activity and application thereof 首都医科大学 2022-07-19 CN claimed
CN-114763354-A Heptacyclo indole diketopiperazine non-covalent bond trimer, preparation, thrombolytic activity and application thereof 首都医科大学 2022-07-19 CN claimed
EP-4715066-A1 PANEL OF MICRORNAS AS BIOMARKERS OF NON-SEGMENTAL VITILIGO Servicio Andaluz De Salud (ES) 2026-03-25 EP disclosed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
US-12312642-B2 Method for the diagnosis, prognosis and treatment of breast cancer metastasis FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA) (ES) 2025-05-27 US disclosed
US-20250161459-A1 TRKB LIGAND CONJUGATED COMPOUNDS AND USES THEREOF ADARX PHARMACEUTICALS, INC. (US) 2025-05-22 US disclosed
US-20250115912-A1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF CANCER METASTASIS FUNDACIO INST DE RECERCA BIOMEDICA IRB BARCELONA (ES) 2025-04-10 US disclosed
US-20250078957-A1 Unsupervised Machine Learning Methods AMPEL BIOSOLUTIONS LLC (US) 2025-03-06 US disclosed
US-20250022541-A1 Unsupervised Machine Learning Methods AMPEL BIOSOLUTIONS LLC (US) 2025-01-16 US disclosed
US-12196758-B2 Method for the prognosis and treatment of cancer metastasis FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA) and INSTITUCIO CATALANA DE RECERCA I ESTUDIS AVANCATS (ES) 2025-01-14 US disclosed
WO-2023158713-A1 UNSUPERVISED MACHINE LEARNING METHODS AMPEL BIOSOLUTIONS, LLC (US) 2023-08-24 WO disclosed
CN-114763354-B Heptacycloindole diketopiperazine non-covalent bond trimer, preparation, thrombolytic activity and application thereof 首都医科大学 2023-05-05 CN disclosed
US-11591599-B2 Method for the diagnosis, prognosis and treatment of cancer metastasis FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) 2023-02-28 US disclosed
CN-112175041-B Ethyl QRPAK modified bis-carbolino piperazine diketone and preparation, activity and application thereof 首都医科大学(CN) 2023-01-13 CN disclosed
CN-110577582-B LDV modified heptacyclic aldehyde, synthesis, antithrombotic activity and application thereof 首都医科大学 2022-09-02 CN disclosed
US-11352673-B2 Method for the diagnosis, prognosis and treatment of lung cancer metastasis FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA) 2022-06-07 US disclosed
US-11318138-B2 Methods for treating B cell proliferative disorders CORNELL UNIVERSITY (US) 2022-05-03 US disclosed
US-20220049316-A1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF BREAST CANCER METASTASIS FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA) (ES) 2022-02-17 US disclosed
US-20220042997-A1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF PROSTATE CANCER METASTASIS INBIOMOTION S.L. (ES) 2022-02-10 US 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 (8 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-11318138-B2 Methods for treating B cell proliferative disorders CDK4, BCL6, BCL6B PDPK1 286/4885TLK2 1220/4885PDGFRB 481/4885
US-20220042997-A1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF PROSTATE CANCER METASTASIS MAFG, MAFK, ACP3 PDPK1 3896/4885TLK2 3667/4885PDGFRB 1505/4885
US-12196758-B2 Method for the prognosis and treatment of cancer metastasis MAFG, BRCA1, BCOR PDPK1 4611/4885TLK2 2500/4885PDGFRB 498/4885
US-20250161459-A1 TRKB LIGAND CONJUGATED COMPOUNDS AND USES THEREOF NTRK2, NTRK1, BDNF PDPK1 1465/4885TLK2 488/4885PDGFRB 95/4885
US-11591599-B2 Method for the diagnosis, prognosis and treatment of cancer metastasis MAFG, RHOXF2, MAFK PDPK1 3495/4885TLK2 2060/4885PDGFRB 1080/4885
US-20220049316-A1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF BREAST CANCER METASTASIS MAFG, MAFK, CRACR2A PDPK1 3821/4885TLK2 3893/4885PDGFRB 1794/4885
US-20250115912-A1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF CANCER METASTASIS MAFG, RHOXF2, MAFK PDPK1 3495/4885TLK2 2060/4885PDGFRB 1080/4885
US-11352673-B2 Method for the diagnosis, prognosis and treatment of lung cancer metastasis MAFG, MAFK, MYCBP PDPK1 3895/4885TLK2 2732/4885PDGFRB 1568/4885

“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.