SCHEMBL19475808

SCHEMBL19475808

CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CC(=O)O)CC3)s2)o1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.81
CCNE2 O96020 7/20 0.81
CCNE1 P24864 7/20 0.81
HDAC3 O15379 3/20 0.73
HDAC4 P56524 3/20 0.73
HDAC1 Q13547 3/20 0.73
HDAC7 Q8WUI4 3/20 0.73
HDAC2 Q92769 3/20 0.73
HDAC10 Q969S8 3/20 0.73
HDAC11 Q96DB2 3/20 0.73
HDAC8 Q9BY41 3/20 0.73
HDAC6 Q9UBN7 3/20 0.73
HDAC9 Q9UKV0 3/20 0.73
HDAC5 Q9UQL6 3/20 0.73
CDK9 P50750 12/20 0.73
CDK7 P50613 4/20 0.73
CCNT1 O60563 3/20 0.73
CCNH P51946 3/20 0.73
MNAT1 P51948 2/20 0.73
CCNA1 P78396 2/20 0.73

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
SCHEMBL24413607 0.92 CDK2 (0.79) CDK2CCNE2CCNE1HDAC3HDAC4
SCHEMBL24758393 0.91 CDK2 (0.83) CDK2CCNE2CCNE1HDAC3HDAC4
SCHEMBL20897375 0.90 CDK2 (0.76) CDK2CCNE2CCNE1HDAC3HDAC4
SCHEMBL4929170 0.89 CDK2 (1.00) CDK2CCNE2CCNE1HDAC3HDAC4
SCHEMBL20897371 0.89 HDAC3 (0.86) CDK2CCNE2CCNE1HDAC3HDAC4
SCHEMBL20905302 0.89 CDK2 (1.00) CDK2CCNE2CCNE1HDAC3HDAC4
SCHEMBL26399636 0.89 CDK2 (0.85) CDK2CCNE2CCNE1HDAC3HDAC4
SCHEMBL24528750 0.88 CDK2 (0.84) CDK2CCNE2CCNE1HDAC3HDAC4
SCHEMBL18613589 0.88 CDK2 (0.84) CDK2CCNE2CCNE1HDAC3HDAC4
SCHEMBL26129922 0.88 CDK2 (0.81) CDK2CCNE2CCNE1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023114455-A1 DISCOVERY OF PIPERLONGUMINE AS A NOVEL E3 LIGASE LIGAND UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-06-22 WO disclosed
US-20220153751-A1 BIFUNCTIONAL COMPOUNDS BIOTHERYX, INC. (US) 2022-05-19 US disclosed
EP-3445760-B1 DEGRADATION OF CYCLIN-DEPENDENT KINASE 9 (CDK9) BY CONJUGATION OF CDK9 INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE DANA FARBER CANCER INST INC (US) 2022-02-23 EP disclosed
EP-3445760-B1 DEGRADATION OF CYCLIN-DEPENDENT KINASE 9 (CDK9) BY CONJUGATION OF CDK9 INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE DANA FARBER CANCER INST INC (US) 2022-02-23 EP disclosed
US-11236103-B2 Bifunctional compounds BIOTHERYX, INC. (US) 2022-02-01 US disclosed
EP-3830093-A1 BIFUNCTIONAL COMPOUNDS AS CDK MODULATORS Biotheryx, Inc. (US) 2021-06-09 EP disclosed
US-20200048277-A1 BIFUNCTIONAL COMPOUNDS BIOTHERYX, INC. 2020-02-13 US disclosed
WO-2020023782-A1 BIFUNCTIONAL COMPOUNDS AS CDK MODULATORS BIOTHERYX, INC. (US) 2020-01-30 WO disclosed
US-20190111143-A1 DEGRADATION OF CYCLIN-DEPENDENT KINASE 9 (CDK9) BY CONJUGATION OF CDK9 INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-04-18 US disclosed
US-20190111143-A1 DEGRADATION OF CYCLIN-DEPENDENT KINASE 9 (CDK9) BY CONJUGATION OF CDK9 INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-04-18 US disclosed
WO-2017185023-A1 DEGRADATION OF CYCLIN-DEPENDENT KINASE 9 (CDK9) BY CONJUGATION OF CDK9 INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-26 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 (4 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-20200048277-A1 BIFUNCTIONAL COMPOUNDS CDK2, CDK6, CDK5 CDK2 1/4885CCNE2 52/4885CCNE1 47/4885
US-11236103-B2 Bifunctional compounds CDK2, CDK6, CDK5 CDK2 1/4885CCNE2 52/4885CCNE1 47/4885
US-20190111143-A1 DEGRADATION OF CYCLIN-DEPENDENT KINASE 9 (CDK9) BY CONJUGATION OF CDK9 INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE CDK9, CDK19, CDKL1 CDK2 9/4885CCNE2 84/4885CCNE1 52/4885
US-20220153751-A1 BIFUNCTIONAL COMPOUNDS CDK2, CDK6, CDK5 CDK2 1/4885CCNE2 52/4885CCNE1 47/4885

“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.