SCHEMBL66874

SCHEMBL66874

Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 1.00
MAPK13 O15264 3/20 1.00
MAPK11 Q15759 3/20 1.00
MAPT P10636 2/20 1.00
MAPK12 P53778 2/20 1.00
LMNA P02545 1/20 0.78
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
RAF1 P04049 1/20 0.67
ERBB2 P04626 1/20 0.67
MAPK9 P45984 1/20 0.66
DDR2 Q16832 1/20 0.66

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
SCHEMBL25735854 0.89 MAPK14 (0.85) MAPK14MAPK13MAPK11MAPTMAPK12
SCHEMBL12682612 0.88 MAPT (1.00) MAPK14MAPK13MAPK11MAPTMAPK12
SCHEMBL13235035 0.86 MAPK14 (0.76) MAPK14MAPK13MAPK11MAPTMAPK12
SCHEMBL18407354 0.86 MAPK14 (0.81) MAPK14MAPK13MAPK11MAPTMAPK12
SCHEMBL2954601 0.85 MAPK14 (0.74) MAPK14MAPK13MAPK11MAPTMAPK12
SCHEMBL2957650 0.84 MAPK14 (0.73) MAPK14MAPK13MAPK11MAPTMAPK12
SCHEMBL2959754 0.84 MAPK14 (0.76) MAPK14MAPK13MAPK11MAPTMAPK12
SCHEMBL27640941 0.83 MAPK14 (1.00) MAPK14MAPK13MAPK11MAPTMAPK12
SCHEMBL12245421 0.83 MAPK14 (0.88) MAPK14MAPK13MAPK11MAPTMAPK12
SCHEMBL9923555 0.82 MAPK14 (0.84) MAPK14MAPK13MAPK11MAPTMAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
WO-2022225728-A2 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. (US) 2022-10-27 WO disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 EP disclosed
WO-2019055754-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN, INC. (US) 2019-03-21 WO disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
US-20090104679-A1 Crystallographic Structure of MNK-1 and MNK-2 Proteins EVOTEC INTERNATIONAL GMBH (DE) 2009-04-23 US disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed
EP-1856252-A1 CRYSTALLOGRAPHIC STRUCTURE OF MNK-1 AND MNK-2 PROTEINS DeveloGen Aktiengesellschaft (DE) 2007-11-21 EP disclosed
WO-2006094791-A1 CRYSTALLOGRAPHIC STRUCTURE OF MNK-1 AND MNK-2 PROTEINS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-09-14 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-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR MAPK14 1436/4885MAPK13 1519/4885MAPK11 1258/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS MAPK14 2739/4885MAPK13 2417/4885MAPK11 3647/4885

“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.