SCHEMBL7901539

SCHEMBL7901539

CCc1ccc2c(c1)CNC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 2/20 0.49
▸ DAPK3 O43293 1/20 0.49
▸ NTRK1 P04629 1/20 0.49
▸ PIM1 P11309 1/20 0.49
▸ FLT3 P36888 1/20 0.49
▸ GSK3B P49841 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
▸ PARP11 Q9NR21 2/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ BRS3 P32247 1/20 0.43

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
SCHEMBL7895778 0.86 CLK4 (0.51) CLK4DAPK3NTRK1PIM1FLT3
SCHEMBL10168733 0.83 PARP11 (0.66) GRM5PARP11PARP10
SCHEMBL26768108 0.83 RYR2 (0.42) GRM5ALDH1A1BRS3KDR
SCHEMBL12193961 0.82 CA12 (0.48) CLK4DAPK3NTRK1PIM1FLT3
SCHEMBL4597521 0.82 CA12 (0.48) CLK4DAPK3NTRK1PIM1FLT3
SCHEMBL30452325 0.82 CA12 (0.48) CLK4DAPK3NTRK1PIM1FLT3
SCHEMBL30073094 0.82 CA12 (0.48) CLK4DAPK3NTRK1PIM1FLT3
SCHEMBL12194628 0.81 DAPK3 (0.46) CLK4DAPK3NTRK1PIM1FLT3
SCHEMBL27446376 0.80 PARP11 (0.55) GSK3BGRM5PARP11NPC1ALDH1A1
SCHEMBL28007031 0.79 CLK4 (0.43) CLK4DAPK3NTRK1PIM1FLT3

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 33 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
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
WO-2023178181-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-09-21 — — WO disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 — — US disclosed
US-20210147402-A1 COMPOUNDS AND METHODS OF PREPARING COMPOUNDS S1P1 MODULATORS TREVENA, INC. 2021-05-20 — — US disclosed
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 — — EP disclosed
US-9896443-B2 Perforin inhibiting benzenesulfonamide compounds, preparation and uses thereof PETER MACCALLUM CANCER INSTITUTE (AU) 2018-02-20 — — US disclosed
WO-2017214005-A1 2-(BENZOTHIAZOL-2-YL)-2-CYANO-ACETAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-14 — — WO disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 — — US disclosed
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds Epizyme, Inc. (US) 2017-08-31 — — US disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 — — WO disclosed
US-7705004-B2 Protein kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-04-27 — — US disclosed
WO-2010034740-A1 (R)-3-(N,N-DIMETHYLAMINO)PYRROLIDINE DERIVATIVES PALAU PHARMA, S.A. (ES) 2010-04-01 — — WO disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 — — US disclosed
US-20090275592-A1 Heterocyclic modulators of PKB AMGEN INC. (US) 2009-11-05 — — US disclosed
US-20090270445-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2009-10-29 — — US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 — — US disclosed
US-20090054425-A1 PROTEIN KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-26 — — US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 — — US disclosed
US-20070054903-A1 Bis-aryl kinase inhibitors and method AMGEN INC. (US) 2007-03-08 — — 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 (11 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-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 CLK4 1842/4885DAPK3 869/4885NTRK1 1129/4885
US-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR CLK4 948/4885DAPK3 509/4885NTRK1 4327/4885
US-20090275592-A1 Heterocyclic modulators of PKB MTOR, PDK1, EIF4EBP1 CLK4 1818/4885DAPK3 895/4885NTRK1 4672/4885
US-20210147402-A1 COMPOUNDS AND METHODS OF PREPARING COMPOUNDS S1P1 MODULATORS S1PR1, S1PR2, S1PR5 CLK4 3756/4885DAPK3 2332/4885NTRK1 906/4885
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 CLK4 2409/4885DAPK3 388/4885NTRK1 3852/4885
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds SMYD3, SMYD2, SMURF2 CLK4 3337/4885DAPK3 904/4885NTRK1 4096/4885
US-20090270445-A1 Thiazole compounds and methods of use MTOR, JAK2, TK2 CLK4 818/4885DAPK3 699/4885NTRK1 3186/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 CLK4 1038/4885DAPK3 915/4885NTRK1 4168/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CLK4 2866/4885DAPK3 2303/4885NTRK1 991/4885
US-20090054425-A1 PROTEIN KINASE INHIBITORS SYK, JAK2, BTK CLK4 965/4885DAPK3 422/4885NTRK1 1700/4885
US-20070054903-A1 Bis-aryl kinase inhibitors and method HGF, MET, BLK CLK4 658/4885DAPK3 854/4885NTRK1 341/4885

“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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