SCHEMBL279725

SCHEMBL279725

CC(C)c1ccc2c(c1)CNC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.49
NTRK1 P04629 2/20 0.49
FLT3 P36888 2/20 0.49
GSK3B P49841 2/20 0.49
DAPK3 O43293 1/20 0.49
PIM1 P11309 1/20 0.49
ROCK1 Q13464 1/20 0.49
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
GRM5 P41594 4/20 0.47
HPGD P15428 1/20 0.46
GFER P55789 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MKNK1 Q9BUB5 2/20 0.41
LMNA P02545 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
BRAF P15056 1/20 0.41
PRKCI P41743 1/20 0.40
DYRK1B Q9Y463 2/20 0.40

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
SCHEMBL21152562 0.86 CLK4 (0.47) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL8163994 0.86 HPGD (0.58) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL12812831 0.83 CLK4 (0.44) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL279822 0.83 PARP10 (0.63) GRM5PARP10PARP11
SCHEMBL25422291 0.82 PRF1 (0.47) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL20622440 0.81 CLK4 (0.43) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL12219893 0.81 HPGD (0.45) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL25795405 0.80 PARP11 (0.51) GSK3BGRM5HPGDGFERHSD17B10
SCHEMBL19044560 0.80 CLK4 (0.42) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL25595805 0.80 HPGD (0.38) CLK4NTRK1FLT3GSK3BDAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024119122-A1 CDK INHIBITORS AND METHODS AND USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-06-06 WO disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230382863-A1 MEK INHIBITORS AND USES THEREOF IMAGENEBIO, INC. 2023-11-30 US disclosed
US-11820773-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-11820773-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors Lilac Therapeutics, Inc. (US) 2023-11-07 US disclosed
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors Lilac Therapeutics, Inc. (US) 2023-11-07 US disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
US-20120142706-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2012-06-07 US disclosed
US-8133895-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-13 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US disclosed
WO-2011019538-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2011-02-17 WO disclosed
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-09-23 US disclosed
WO-2010034740-A1 (R)-3-(N,N-DIMETHYLAMINO)PYRROLIDINE DERIVATIVES PALAU PHARMA, S.A. (ES) 2010-04-01 WO disclosed
WO-2009143477-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2009-11-26 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 (9 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 CLK4 4605/4885NTRK1 4798/4885FLT3 1068/4885
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors UGDH, PGD, PNPO CLK4 3979/4885NTRK1 3480/4885FLT3 1215/4885
US-20230382863-A1 MEK INHIBITORS AND USES THEREOF BRAF, NRAS, KRAS CLK4 817/4885NTRK1 1670/4885FLT3 166/4885
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 CLK4 2409/4885NTRK1 3852/4885FLT3 1323/4885
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES RRP15, RARS2, RO60 CLK4 3211/4885NTRK1 3150/4885FLT3 1384/4885
US-11820773-B2 Tricyclic compounds SLC10A1, PKD1, CEL CLK4 1455/4885NTRK1 4720/4885FLT3 2182/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CLK4 2866/4885NTRK1 991/4885FLT3 569/4885
US-20120142706-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR27, GCGR CLK4 4467/4885NTRK1 1828/4885FLT3 4067/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 CLK4 4605/4885NTRK1 4798/4885FLT3 1068/4885

“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.