SCHEMBL5212404

SCHEMBL5212404

CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 16/20 1.00
PTK2B Q14289 8/20 1.00
ULK1 O75385 6/20 1.00
CDK1 P06493 1/20 1.00
CCNB1 P14635 1/20 1.00
CDK7 P50613 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
SCHEMBL31060602 1.00 PTK2 (1.00) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL29382158 1.00 PTK2 (1.00) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL31732817 1.00 PTK2 (1.00) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL17545007 0.96 PTK2 (0.92) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL5209315 0.94 PTK2 (0.88) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL3146424 0.93 PTK2 (1.00) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL5212849 0.90 PTK2B (0.82) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL17547558 0.90 PTK2 (0.81) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL17544462 0.89 PTK2 (0.91) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL17547472 0.89 PTK2 (0.80) PTK2PTK2BULK1CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190040448-A1 METHODS OF DIAGNOSING AND TREATING B CELL ACUTE LYMPHOBLASTIC LEUKEMIA THE GENERAL HOSPITAL CORPORATION 2019-02-07 US claimed
US-20160251696-A1 METHODS OF DIAGNOSING AND TREATING B CELL ACUTE LYMPHOBLASTIC LEUKEMIA TUFTS MEDICAL CENTER 2016-09-01 US claimed
WO-2015054477-A1 METHODS OF DIAGNOSING AND TREATING B CELL ACUTE LYMPHOBLASTIC LEUKEMIA THE GENERAL HOSPITAL CORPORATION (US) 2015-04-16 WO claimed
US-7235562-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2007-06-26 US claimed
EP-1758887-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2007-03-07 EP claimed
WO-2005111016-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2005-11-24 WO claimed
US-20050256111-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2005-11-17 US claimed
US-20240100051-A1 Anti-Tumor Immunotherapy Enhancer TSUKAMOTO NOBUO (JP) 2024-03-28 US disclosed
EP-3700516-B1 INHIBITORS OF DUX4 INDUCTION FOR REGULATION OF MUSCLE FUNCTION SONIC MASTER LTD (VG) 2024-01-24 EP disclosed
US-11752150-B2 Anti-tumor immunotherapy enhancer NOBUO TSUKAMOTO (JP) 2023-09-12 US disclosed
US-20230149295-A1 INFLAMMATORY BOWEL DISEASE STEM CELLS, AGENTS WHICH TARGET IBD STEM CELLS, AND USES RELATED THERETO UNIVERSITY OF HOUSTON SYSTEM (US) 2023-05-18 US disclosed
US-20230149295-A1 INFLAMMATORY BOWEL DISEASE STEM CELLS, AGENTS WHICH TARGET IBD STEM CELLS, AND USES RELATED THERETO UNIVERSITY OF HOUSTON SYSTEM (US) 2023-05-18 US disclosed
US-20230130766-A1 MONO AND COMBINATION THERAPIES WITH ULK1/2 INHIBITORS SALK INSTITUTE FOR BIOLOGICAL STUDIES 2023-04-27 US disclosed
US-20100305099-A1 DIAMINOPYRIDINES FOR THE TREATMENT OF DISEASES WHICH ARE CHARACTERISED BY EXCESSIVE OR ANOMAL CELL PROLIFERATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-02 US disclosed
US-20100305099-A1 DIAMINOPYRIDINES FOR THE TREATMENT OF DISEASES WHICH ARE CHARACTERISED BY EXCESSIVE OR ANOMAL CELL PROLIFERATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-02 US disclosed
WO-2009071535-A1 DIAMINOPYRIDINES FOR THE TREATMENT OF DISEASES WHICH ARE CHARACTERISED BY EXCESSIVE OR ANOMAL CELL PROLIFERATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 WO disclosed
US-7235562-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2007-06-26 US disclosed
EP-1758887-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2007-03-07 EP disclosed
WO-2005111016-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256111-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2005-11-17 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 (6 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-20190040448-A1 METHODS OF DIAGNOSING AND TREATING B CELL ACUTE LYMPHOBLASTIC LEUKEMIA PTK2, BLK, BCL3 PTK2 1/4885PTK2B 15/4885ULK1 1523/4885
US-20230130766-A1 MONO AND COMBINATION THERAPIES WITH ULK1/2 INHIBITORS ULK1, ULK2, ULK3 PTK2 613/4885PTK2B 388/4885ULK1 1/4885
US-20160251696-A1 METHODS OF DIAGNOSING AND TREATING B CELL ACUTE LYMPHOBLASTIC LEUKEMIA PTK2, BLK, BCL3 PTK2 1/4885PTK2B 15/4885ULK1 1523/4885
US-20230149295-A1 INFLAMMATORY BOWEL DISEASE STEM CELLS, AGENTS WHICH TARGET IBD STEM CELLS, AND USES RELATED THERETO EPCAM, FABP2, TPMT PTK2 1704/4885PTK2B 3922/4885ULK1 1709/4885
US-20050256111-A1 Pyrimidine derivatives for the treatment of abnormal cell growth TYMS, TYMP, CCNA1 PTK2 3610/4885PTK2B 3168/4885ULK1 3275/4885
US-20100305099-A1 DIAMINOPYRIDINES FOR THE TREATMENT OF DISEASES WHICH ARE CHARACTERISED BY EXCESSIVE OR ANOMAL CELL PROLIFERATION BOD1L1, DPYD, MKI67 PTK2 2418/4885PTK2B 1605/4885ULK1 4607/4885

“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.