SCHEMBL626796

SCHEMBL626796

CC(=O)O[C@H]1CC[C@H](Nc2nn3c(-c4cnc(N)c(C(F)(F)F)c4)c(Cl)nc3s2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.39
CYP3A4 P08684 1/20 0.39
FYN P06241 7/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
HASPIN Q8TF76 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
MAP3K12 Q12852 1/20 0.36

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
SCHEMBL626795 0.89 PIK3CA (0.41) PIK3CACYP3A4FYNPIK3CDPIK3CB
SCHEMBL627323 0.88 FYN (0.48) PIK3CACYP3A4FYNPIK3CDPIK3CB
SCHEMBL627321 0.88 FYN (0.48) PIK3CACYP3A4FYNPIK3CDPIK3CB
SCHEMBL627468 0.87 HASPIN (0.43) PIK3CACYP3A4FYNPIK3CDPIK3CB
SCHEMBL627466 0.87 HASPIN (0.43) PIK3CACYP3A4FYNPIK3CDPIK3CB
SCHEMBL626188 0.84 MAP3K12 (0.41) PIK3CAMAP3K12
SCHEMBL628259 0.81 DPP4 (0.38) PIK3CAFYNPIK3CDPIK3CBPIK3CG
SCHEMBL628257 0.81 DPP4 (0.38) PIK3CAFYNPIK3CDPIK3CBPIK3CG
SCHEMBL627322 0.76 FYN (0.48) PIK3CACYP3A4FYNPIK3CDPIK3CB
SCHEMBL627398 0.75 PIK3CA (0.53) PIK3CAFYNHASPIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024130027-A2 PROTAC DEGRADATION OF FACTORS PAX3 AND FOXO1 THE RESEARCH INSTITUTE AT NATIONWIDE CHILDREN'S HOSPITAL (US) 2024-06-20 WO disclosed
EP-4370126-A1 SMALL MOLECULE CYCLIN DEPENDENT KINASE 4/6 (CDK4/6) AND IKZF2 (HELIOS) DEGRADERS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2024-05-22 EP disclosed
EP-4367115-A1 DEGRADERS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2024-05-15 EP disclosed
EP-4353747-A2 COMBINATION OF ZANUBRUTINIB WITH AN ANTI-CD20 OR AN ANTI-PD-1 ANTIBODY FOR USE IN TREATING CANCER BeiGene Switzerland GmbH (CH) 2024-04-17 EP disclosed
EP-3500299-B1 COMBINATION OF ZANUBRUTINIB WITH AN ANTI-CD20 OR AN ANTI-PD-1 ANTIBODY FOR USE IN TREATING CANCER BEIGENE SWITZERLAND GMBH (CH) 2023-12-13 EP disclosed
US-20230364096-A1 USE OF A COMBINATION COMPRISING A BTK INHIBITOR FOR TREATING CANCERS BEONE MEDICINES I GMBH (CH) 2023-11-16 US disclosed
WO-2023133260-A2 CHEMICAL TARGETING SWI/SNF RELATED, MATRIX ASSOCIATED, ACTIN DEPENDENT REGULATOR OF CHROMATIN, SUBFAMILY A, MEMBER 4 (SMARCA4) AND USE IN DIFFUSE INTRINSIC PONTINE GLIOMA (DIPG) DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-13 WO disclosed
EP-4168003-A2 COMPOUNDS FOR TARGETED DEGRADATION OF INTERLEUKIN-2-INDUCIBLE T-CELL KINASE AND METHODS OF USE Dana-Farber Cancer Institute, Inc. (US) 2023-04-26 EP disclosed
EP-4168441-A1 TARGETED ABERRANT ALPHA-SYNUCLEIN SPECIES AND INDUCED UBIQUITINATION AND PROTEOSOMAL CLEARANCE VIA CO-RECRUITMENT OF AN E3-LIGASE SYSTEM Dana-Farber Cancer Institute, Inc. (US) 2023-04-26 EP disclosed
EP-4153175-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE Dana-Farber Cancer Institute, Inc. (US) 2023-03-29 EP disclosed
EP-2032583-A1 NEW CHEMICAL COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2009-03-11 EP disclosed
EP-2024370-A1 SPIRO- (THO) BENZOPYRAN-2, 4' -PIPERIDINE-AND CYCLOHEXANE DERIVATIVES AS INHIBITORS OF SPECIFIC CELL CYCLE ENZYMES Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
WO-2009003998-A2 ANTIPROLIFERATIVE COMPOUNDS BASED ON 5-MEMBERED HETEROCYCLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-08 WO disclosed
WO-2009003999-A2 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-08 WO disclosed
WO-2009000832-A2 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-31 WO disclosed
WO-2008152013-A1 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-18 WO disclosed
WO-2008152014-A2 3-HETROCYCLYLIDENE-INDOLINONE DERIVATIVES AS INHIBITORS OF SPECIFIC CELL CYCLE KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-18 WO disclosed
WO-2008107444-A1 9H- PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-12 WO disclosed
WO-2007144370-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO disclosed
WO-2007128782-A1 SPIRO- (THO) BENZOPYRAN-2, 4' -PIPERIDINE-AND CYCLOHEXANE DERIVATIVES AS INHIBITORS OF SPECIFIC CELL CYCLE ENZYMES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-15 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 (1 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-20230364096-A1 USE OF A COMBINATION COMPRISING A BTK INHIBITOR FOR TREATING CANCERS BTK, LCK, LYN PIK3CA 78/4885CYP3A4 4413/4885FYN 66/4885

“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.