SCHEMBL1749913

SCHEMBL1749913

CCOC(=O)c1nc(Nc2ccccc2O[Si](C)(C)C(C)(C)C)nc(Nc2ccccc2OC)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SIRT5 Q9NXA8 1/20 0.43
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 3/20 0.41
SHMT2 P34897 1/20 0.41
DRD2 P14416 1/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL1750115 0.89 ALDH1A1 (0.41) ALDH1A1SIRT5MAPTSMN1; SMN2USP2
SCHEMBL4228405 0.86 HSD17B10 (0.45) ALDH1A1SIRT5MAPTSMN1; SMN2USP2
SCHEMBL1749409 0.84 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2USP2ALOX15
SCHEMBL4363788 0.80 KMT2A (0.50) ALDH1A1MAPTSMN1; SMN2USP2ALOX15
SCHEMBL27631425 0.79 MEN1 (0.46) ALDH1A1SIRT5MAPTSMN1; SMN2USP2
SCHEMBL4221102 0.79 CDC25B (0.43) ALDH1A1MAPTSMN1; SMN2USP2ALOX15
SCHEMBL4229794 0.78 TYRO3 (0.47) ALDH1A1MAPTSMN1; SMN2USP2ALOX15
SCHEMBL1749518 0.78 TYRO3 (0.47) ALDH1A1MAPTSMN1; SMN2USP2ALOX15
SCHEMBL1749519 0.78 TYRO3 (0.47) ALDH1A1MAPTSMN1; SMN2USP2ALOX15
SCHEMBL4230926 0.74 CSNK1D (0.46) ALDH1A1MAPTSMN1; SMN2USP2ALOX15

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383634-B2 Methods of treatment using heteroaryl compounds and compositions thereof SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF SIGNAL PHARMACEUTICALS, LLC 2011-09-15 US disclosed
US-7968556-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-06-28 US disclosed
EP-2078018-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-02-12 US disclosed
WO-2008051494-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 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 (2 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-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF JAK2, CHEK2, PHKG1 ALDH1A1 2430/4885SIRT5 3561/4885MAPT 3503/4885
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, CHEK2, SRC ALDH1A1 2113/4885SIRT5 3892/4885MAPT 3618/4885

“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.