SCHEMBL5001032

SCHEMBL5001032

CC(C)c1cnn2c(Nc3ccc(S(=O)(=O)N(C)C)cc3)cc(NC3CCC(N)CC3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 1.00
▸ GSK3B P49841 14/20 1.00
▸ CDK1 P06493 3/20 0.70
▸ CHEK1 O14757 2/20 0.70
▸ CCNE1 P24864 2/20 0.52
▸ FLT3 P36888 2/20 0.52
▸ MAPKAPK2 P49137 1/20 0.50

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
SCHEMBL14427460 1.00 CDK2 (1.00) CDK2GSK3BCDK1CHEK1CCNE1
SCHEMBL5001033 1.00 CDK2 (1.00) CDK2GSK3BCDK1CHEK1CCNE1
SCHEMBL14427497 0.95 CDK2 (0.91) CDK2GSK3BCDK1CHEK1CCNE1
SCHEMBL14427509 0.91 CDK2 (0.85) CDK2GSK3BCDK1CHEK1
SCHEMBL14427438 0.91 CDK2 (0.84) CDK2GSK3BCDK1CHEK1
SCHEMBL14427397 0.91 CDK2 (0.84) CDK2GSK3BCDK1CHEK1CCNE1
SCHEMBL14427474 0.91 CDK2 (0.83) CDK2GSK3BCDK1CHEK1
SCHEMBL14427482 0.90 CDK2 (0.82) CDK2GSK3BCDK1CHEK1CCNE1
SCHEMBL14427436 0.90 CDK2 (0.82) CDK2GSK3BCDK1CHEK1CCNE1
SCHEMBL14427440 0.90 CDK2 (1.00) CDK2GSK3BCDK1CHEK1CCNE1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240034799-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS CEDARS SINAI MEDICAL CENTER (US) 2024-02-01 — — US disclosed
EP-4256086-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS Cedars-Sinai Medical Center (US) 2023-10-11 — — EP disclosed
US-20230279491-A1 TREATMENTS FOR A SUB-POPULATION OF INFLAMMATORY BOWEL DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER 2023-09-07 — — 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-2022119842-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER (US) 2022-06-09 — — 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
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 — — EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 — — EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 — — EP disclosed
US-8067424-B2 Selective inhibitors for cyclin-dependent kinases EMORY UNIVERSITY (US) 2011-11-29 — — US disclosed
US-8067424-B2 Selective inhibitors for cyclin-dependent kinases EMORY UNIVERSITY (US) 2011-11-29 — — US disclosed
US-20100261683-A1 Selective Inhibitors for Cyclin-Dependent Kinases EMORY UNIVERSITY 2010-10-14 — — US disclosed
US-20100261683-A1 Selective Inhibitors for Cyclin-Dependent Kinases EMORY UNIVERSITY 2010-10-14 — — US disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 — — 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 (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-20100261683-A1 Selective Inhibitors for Cyclin-Dependent Kinases CDK7, CCNK, CDK17 CDK2 5/4885GSK3B 380/4885CDK1 4/4885

“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.

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