SCHEMBL1751472

SCHEMBL1751472

CCOC(=O)c1nc(Nc2ccccc2CO)nc(Nc2ccccc2OC)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.53
GSK3A P49840 2/20 0.52
GSK3B P49841 2/20 0.52
NR1I2 O75469 1/20 0.52
AHR P35869 1/20 0.52
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
MAPT P10636 7/20 0.49
TDP1 Q9NUW8 1/20 0.49
RAD52 P43351 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
BLM P54132 1/20 0.45
ATM Q13315 1/20 0.45
GAA P10253 1/20 0.45
USP2 O75604 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL1748903 0.88 GSK3A (0.53) IGF1RGSK3AGSK3BNR1I2AHR
SCHEMBL4224401 0.86 GSK3A (0.52) IGF1RGSK3AGSK3BNR1I2AHR
SCHEMBL1751684 0.85 GSK3A (0.51) IGF1RGSK3AGSK3BNR1I2AHR
SCHEMBL4566417 0.84 GSK3A (0.45) IGF1RGSK3AGSK3BNR1I2AHR
SCHEMBL4223368 0.84 GSK3A (0.51) IGF1RGSK3AGSK3BNR1I2AHR
SCHEMBL4052746 0.81 IGF1R (0.51) IGF1RGSK3AGSK3BNR1I2AHR
SCHEMBL4052739 0.81 IGF1R (0.51) IGF1RGSK3AGSK3BNR1I2AHR
SCHEMBL4227109 0.81 IGF1R (0.51) IGF1RGSK3AGSK3BNR1I2AHR
SCHEMBL4228405 0.74 HSD17B10 (0.45) GSK3AGSK3BNR1I2AHRCDK5
SCHEMBL656365 0.72 POLB (0.51) IGF1RCDK5CDK5R1MAPTTDP1

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 4 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
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-02-12 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 (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 IGF1R 576/4885GSK3A 348/4885GSK3B 336/4885
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, CHEK2, SRC IGF1R 838/4885GSK3A 391/4885GSK3B 364/4885

“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.