SCHEMBL879377

SCHEMBL879377

C#CC(O)c1ccc2cn[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
NOS1 P29475 3/20 0.46
KDM4E B2RXH2 3/20 0.46
DYRK1A Q13627 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
METAP2 P50579 2/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
FGFR1 P11362 8/20 0.45
FGFR2 P21802 3/20 0.45
FGFR3 P22607 1/20 0.45
ALDH1A1 P00352 4/20 0.44
F2 P00734 1/20 0.44
CYP3A4 P08684 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP2D6 P10635 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
SCHEMBL3722916 0.78 MAPT (0.54) MAPTNOS1KDM4EDYRK1AMEN1
SCHEMBL8064332 0.74 NOS1 (0.58) MAPTNOS1KDM4EDYRK1AMEN1
SCHEMBL84390 0.74 MAPT (0.60) MAPTNOS1KDM4EDYRK1AMEN1
SCHEMBL12930775 0.73 MAPT (0.49) MAPTNOS1KDM4EDYRK1AMEN1
SCHEMBL18737272 0.71 MAPT (0.50) MAPTNOS1KDM4EDYRK1AMEN1
SCHEMBL6181437 0.71 NOS1 (0.55) MAPTNOS1KDM4EDYRK1AMEN1
SCHEMBL21510145 0.71 MAPT (0.50) MAPTNOS1KDM4EDYRK1AMEN1
SCHEMBL18559548 0.71 MAPT (0.55) MAPTNOS1KDM4EDYRK1AMEN1
SCHEMBL14135371 0.71 RECQL (0.48) MAPTNOS1KDM4EDYRK1AMEN1
SCHEMBL4054705 0.70 NOS1 (0.53) MAPTNOS1KDM4EDYRK1AMEN1

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
US-20210145824-A1 MODULATORS OF CELLULAR ADHESION NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-05-20 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-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-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-9216174-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2015-12-22 US disclosed
US-20140066476-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-03-06 US disclosed
US-20140066476-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-03-06 US disclosed
US-7790743-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-09-07 US disclosed
US-7790743-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-09-07 US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 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-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
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 (6 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 MAPT 3828/4885NOS1 1989/4885KDM4E 3313/4885
US-20140066476-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 MAPT 3828/4885NOS1 1989/4885KDM4E 3313/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 MAPT 3828/4885NOS1 1989/4885KDM4E 3313/4885
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 MAPT 3828/4885NOS1 1989/4885KDM4E 3313/4885
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 MAPT 3828/4885NOS1 1989/4885KDM4E 3313/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 MAPT 3830/4885NOS1 1988/4885KDM4E 3330/4885

“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.