SCHEMBL1749519

SCHEMBL1749519

CCOC(=O)c1nc(NC2CCC(O)CC2)nc(Nc2ccccc2OC)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 4/20 0.47
MERTK Q12866 4/20 0.47
FLT3 P36888 3/20 0.47
GAS6 Q14393 3/20 0.47
AXL P30530 2/20 0.47
CDK7 P50613 2/20 0.47
CDK9 P50750 2/20 0.47
CDK1 P06493 2/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CDK2 P24941 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL1749518 1.00 TYRO3 (0.47) TYRO3MERTKFLT3GAS6AXL
SCHEMBL4229794 1.00 TYRO3 (0.47) TYRO3MERTKFLT3GAS6AXL
SCHEMBL4052739 0.86 IGF1R (0.51) TYRO3MERTKFLT3GAS6AXL
SCHEMBL4227109 0.86 IGF1R (0.51) TYRO3MERTKFLT3GAS6AXL
SCHEMBL4052746 0.86 IGF1R (0.51) TYRO3MERTKFLT3GAS6AXL
SCHEMBL4228405 0.81 HSD17B10 (0.45) ALDH1A1MAPTUSP2ALOX15TSHR
SCHEMBL4363788 0.79 KMT2A (0.50) ALDH1A1MAPTUSP2ALOX15TSHR
SCHEMBL1749913 0.78 ALDH1A1 (0.44) ALDH1A1MAPTUSP2ALOX15TSHR
SCHEMBL4221102 0.76 CDC25B (0.43) ALDH1A1MAPTUSP2ALOX15TSHR
SCHEMBL27631425 0.74 MEN1 (0.46) ALDH1A1MAPTUSP2ALOX15TSHR

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 TYRO3 85/4885MERTK 401/4885FLT3 93/4885
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, CHEK2, SRC TYRO3 141/4885MERTK 535/4885FLT3 145/4885

“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.