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Sugi Predict / Compounds / SCHEMBL1749773

SCHEMBL1749773

SCHEMBL1749773

CCOC(=O)CN(c1ccccc1)c1nc(Cl)nc(C(=O)OCC)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ AR P10275 1/20 0.39
▸ THRB P10828 1/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ GSK3B P49841 1/20 0.35

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
SCHEMBL27796504 0.80 MAPT (0.43) MAPTPTGS1PTGS2ARIGF1R
SCHEMBL58060 0.73 PTGS1 (0.42) MAPTPTGS1PTGS2IGF1RALDH1A1
SCHEMBL28751721 0.72 ALDH1A1 (0.54) MAPTARALDH1A1KMT2AKDM4E
SCHEMBL12027414 0.72 MEN1 (0.42) MAPTARALDH1A1KMT2AKDM4E
SCHEMBL4458579 0.71 SMN1; SMN2 (0.57) MAPTALDH1A1KMT2AKDM4EHPGD
SCHEMBL166734 0.71 ALDH1A1 (0.41) MAPTPTGS1PTGS2IGF1RALDH1A1
SCHEMBL1204074 0.70 PIN1 (0.43) MAPTTHRBALDH1A1KMT2AMEN1
SCHEMBL654797 0.70 LMNA (0.44) MAPTPTGS1PTGS2IGF1RALDH1A1
SCHEMBL14524709 0.69 PTGS1 (0.39) MAPTPTGS1PTGS2IGF1RELANE
SCHEMBL31729190 0.69 PTGS1 (0.39) MAPTPTGS1PTGS2IGF1RALDH1A1

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 MAPT 3503/4885PTGS1 1183/4885PTGS2 1237/4885
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, CHEK2, SRC MAPT 3618/4885PTGS1 866/4885PTGS2 913/4885

“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.