SCHEMBL14680194

SCHEMBL14680194

CC1=C(C#N)C(O)=NC(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.62
AKT1 P31749 1/20 0.62
NEK6 Q9HC98 1/20 0.51
POLB P06746 8/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
TDP1 Q9NUW8 5/20 0.51
KDM4E B2RXH2 4/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
MAPT P10636 4/20 0.51
RECQL P46063 4/20 0.51
PSMD14 O00487 3/20 0.51
MMP2 P08253 3/20 0.51
MCL1 Q07820 3/20 0.51
GPR35 Q9HC97 2/20 0.51
THRB P10828 1/20 0.51
BLM P54132 1/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
APEX1 P27695 1/20 0.51

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
SCHEMBL21437092 0.88 NEK6 (0.64) CDC25BAKT1NEK6POLBMEN1
SCHEMBL18598059 0.84 SNRNP200 (0.54) CDC25BAKT1POLBMEN1KMT2A
SCHEMBL23374517 0.80 NEK6 (0.64) CDC25BAKT1NEK6POLBMEN1
SCHEMBL12436857 0.78 CDC25B (0.57) CDC25BAKT1NEK6POLBMEN1
SCHEMBL26804892 0.78 NEK6 (0.67) CDC25BAKT1NEK6POLBMEN1
SCHEMBL6742722 0.77 AKT1 (1.00) CDC25BAKT1NEK6POLBMEN1
SCHEMBL8290357 0.76 ALDH1A1 (0.73) AKT1POLBMEN1KMT2ATDP1
SCHEMBL8290675 0.76 ALDH1A1 (0.59) AKT1POLBMEN1KMT2ATDP1
SCHEMBL8291148 0.75 MAPT (0.55) AKT1NEK6POLBMEN1KMT2A
SCHEMBL20705580 0.75 PIM1 (0.54) CDC25BAKT1NEK6POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 US disclosed
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-19 US disclosed
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-19 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
EP-3138838-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS Dana-Farber Cancer Institute, Inc. (US) 2017-03-08 EP disclosed
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2013-02-07 US disclosed
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2013-02-07 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 (5 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 CDC25B 52/4885AKT1 1335/4885NEK6 2363/4885
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS MCL1, BCL2, BCL2L1 CDC25B 78/4885AKT1 151/4885NEK6 3570/4885
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders MCL1, BCL2, BCL2L1 CDC25B 78/4885AKT1 151/4885NEK6 3570/4885
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS MCL1, BCL2, BCL2L1 CDC25B 78/4885AKT1 151/4885NEK6 3570/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA CDC25B 53/4885AKT1 2163/4885NEK6 2574/4885

“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.