SCHEMBL4137246

SCHEMBL4137246

CC(C)(C)C(=O)c1ccc2cn[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.51
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
DYRK1A Q13627 3/20 0.48
MAP4K4 O95819 1/20 0.48
CLK2 P49760 1/20 0.48
SRPK1 Q96SB4 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
METAP2 P50579 2/20 0.46
AR P10275 1/20 0.46
NOS1 P29475 3/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
FGFR1 P11362 2/20 0.45
FGFR2 P21802 1/20 0.45
FGFR3 P22607 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL4137032 0.87 CTNNB1 (0.57) MAOBDYRK1AMAP4K4CLK2CLK4
SCHEMBL30194367 0.81 MAPT (0.68) MAOBMAPTKDM4EALDH1A1DYRK1A
SCHEMBL2933207 0.81 MAPT (0.68) MAOBMAPTKDM4EALDH1A1DYRK1A
SCHEMBL7002241 0.80 MAOB (0.48) MAOBMAPTKDM4EALDH1A1DYRK1A
SCHEMBL260992 0.80 ALDH1A1 (0.56) MAOBMAPTKDM4EALDH1A1DYRK1A
SCHEMBL29365815 0.80 ALDH1A1 (0.56) MAOBMAPTKDM4EALDH1A1DYRK1A
SCHEMBL21004185 0.79 MAOB (0.52) MAOBMAPTKDM4EALDH1A1DYRK1A
Hydrochloric Acid SCHEMBL7001071 0.78 ALDH1A1 (0.55) MAOBMAPTKDM4EALDH1A1DYRK1A
SCHEMBL7378385 0.78 MAOB (0.55) MAOBMAPTKDM4EALDH1A1DYRK1A
SCHEMBL475069 0.78 AR (0.63) MAOBMAPTKDM4EALDH1A1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11318205-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-05-03 US disclosed
US-20210145824-A1 MODULATORS OF CELLULAR ADHESION NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-05-20 US disclosed
US-10874743-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2020-12-29 US disclosed
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2019-05-09 US disclosed
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2016-03-17 US disclosed
US-9248126-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2016-02-02 US disclosed
US-9216174-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2015-12-22 US disclosed
US-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 US disclosed
US-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-7608723-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide;kinesin spindle protein modulators; anticarcinogenic agents; in vivo stability, bio-availability; diagnosis/medical/;antitumor agents hyperplasia; restinosis; antiinflammatory agents; cardiac hypertrophy NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-10-27 US disclosed
US-7608723-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide;kinesin spindle protein modulators; anticarcinogenic agents; in vivo stability, bio-availability; diagnosis/medical/;antitumor agents hyperplasia; restinosis; antiinflammatory agents; cardiac hypertrophy NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-10-27 US disclosed
US-20080317744-A1 Indole and Benzimidazole Derivatives CHIRON CORPORATION (US) 2008-12-25 US disclosed
US-20080317744-A1 Indole and Benzimidazole Derivatives CHIRON CORPORATION (US) 2008-12-25 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 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 (10 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-20210145824-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 MAOB 1493/4885MAPT 3828/4885KDM4E 3313/4885
US-10874743-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 MAOB 2743/4885MAPT 2459/4885KDM4E 190/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 MAOB 1493/4885MAPT 3828/4885KDM4E 3313/4885
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 MAOB 1539/4885MAPT 3850/4885KDM4E 3304/4885
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 MAOB 1493/4885MAPT 3828/4885KDM4E 3313/4885
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 MAOB 2743/4885MAPT 2459/4885KDM4E 190/4885
US-20080317744-A1 Indole and Benzimidazole Derivatives IDO1, IDO2, AADAC MAOB 39/4885MAPT 1798/4885KDM4E 1266/4885
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 MAOB 1493/4885MAPT 3828/4885KDM4E 3313/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 MAOB 1513/4885MAPT 3830/4885KDM4E 3330/4885
US-11318205-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 MAOB 2743/4885MAPT 2459/4885KDM4E 190/4885

“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.