SCHEMBL12958596

SCHEMBL12958596

CC(C)c1cccc2c1C(=O)NC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.50
KDR P35968 6/20 0.49
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
HSP90AB1 P08238 1/20 0.44
PARP1 P09874 2/20 0.42
CDK1 P06493 1/20 0.39
MAP3K9 P80192 1/20 0.38
MAP3K11 Q16584 1/20 0.38
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GABRA1 P14867 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 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
SCHEMBL14726020 0.83 PARP10 (0.47) HSP90AB1PARP1
SCHEMBL30018968 0.77 AURKA (0.49) AURKAKDRCA12CA9HSP90AB1
SCHEMBL18910429 0.76 HSP90AB1 (0.39) HSP90AB1PARP1LMNA
SCHEMBL12219913 0.76 AURKA (0.37) AURKAKDRCA12CA9HSP90AB1
SCHEMBL22794021 0.76 TDP2 (0.58)
SCHEMBL12654234 0.76 AURKA (0.59) AURKAKDRCA12CA9PARP1
SCHEMBL20992950 0.75 AURKA (0.46) AURKAKDRCA12CA9PARP1
SCHEMBL20992949 0.75 AURKA (0.49) AURKAKDRCA12CA9HSP90AB1
SCHEMBL12194604 0.75 AURKA (0.49) AURKAKDRCA12CA9HSP90AB1
SCHEMBL19297007 0.74 HSP90AB1 (0.46) CA9HSP90AB1PARP1MAP3K9MAP3K11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
US-20230002407-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2023-01-05 US disclosed
US-20210221823-A1 TETRACYCLIC HETEROARYL COMPOUNDS ASTRAZENECA AB (SE) 2021-07-22 US disclosed
US-11066414-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2021-07-20 US disclosed
US-20210061831-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2021-03-04 US disclosed
US-10807977-B2 Compounds that induce degradation of anti-apoptotic Bcl-2 family proteins and the uses thereof BIOVENTURES, LLC (US) 2020-10-20 US disclosed
WO-2020206137-A1 CDK2/5 DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-08 WO disclosed
US-20200123172-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2020-04-23 US disclosed
US-20190248807-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2019-08-15 US disclosed
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-06-01 US disclosed
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-06-01 US disclosed
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 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 (13 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA AURKA 4055/4885KDR 3024/4885CA12 2661/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 AURKA 715/4885KDR 1036/4885CA12 4588/4885
US-20230002407-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS AURKA 2529/4885KDR 3589/4885CA12 259/4885
US-20200123172-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS AURKA 2529/4885KDR 3589/4885CA12 259/4885
US-20210221823-A1 TETRACYCLIC HETEROARYL COMPOUNDS CCNI, MCL1, MKI67 AURKA 1385/4885KDR 514/4885CA12 2570/4885
US-20190248807-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS AURKA 2529/4885KDR 3589/4885CA12 259/4885
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS AURKA 2529/4885KDR 3589/4885CA12 259/4885
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 AURKA 2082/4885KDR 1537/4885CA12 4878/4885
US-11066414-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS AURKA 2529/4885KDR 3589/4885CA12 259/4885
US-20210061831-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS AURKA 2529/4885KDR 3589/4885CA12 259/4885
US-10807977-B2 Compounds that induce degradation of anti-apoptotic Bcl-2 family proteins and the uses thereof BCL2, BAX, BCL2L1 AURKA 4004/4885KDR 3961/4885CA12 4243/4885
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, PPM1D AURKA 2501/4885KDR 2694/4885CA12 4880/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG AURKA 3386/4885KDR 2226/4885CA12 2484/4885

“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.