SCHEMBL1492408

SCHEMBL1492408

CCOC(=O)c1c(N)ccn1-c1ccc(-c2ccco2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALOX15 P16050 1/20 0.46
ADORA3 P0DMS8 4/20 0.44
ADORA2A P29274 4/20 0.44
ADORA1 P30542 4/20 0.44
ADORA2B P29275 3/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 2/20 0.43
PKM P14618 1/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABL1 P00519 1/20 0.41
F2 P00734 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 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
SCHEMBL1492230 0.80 LMNA (0.57) ALDH1A1TDP1POLBTSHRKDM4E
SCHEMBL19643804 0.80 ALDH1A1 (0.57) ALDH1A1KMT2AHSD17B10MEN1ADORA2A
SCHEMBL1492375 0.78 KDM4E (0.38) ALDH1A1KMT2AHSD17B10MEN1ALOX15
SCHEMBL1492363 0.78 CASP3 (0.47) ALDH1A1KMT2AHSD17B10MEN1TDP1
SCHEMBL18955943 0.78 GABRA2 (0.51) ALDH1A1KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL1492332 0.77 SMN1; SMN2 (0.52) ALDH1A1KMT2AHSD17B10MEN1ALOX15
Hydrochloric Acid SCHEMBL1492383 0.77 CASP3 (0.46) ALDH1A1KMT2AHSD17B10MEN1TDP1
Hydrochloric Acid SCHEMBL1492314 0.76 SMN1; SMN2 (0.51) ALDH1A1KMT2AHSD17B10MEN1ALOX15
SCHEMBL1492360 0.73 UCHL1 (0.42) ALDH1A1HSD17B10TSHRKDM4ESMN1; SMN2
SCHEMBL19661208 0.72 NPC1 (0.48) ALDH1A1KMT2AHSD17B10MEN1POLB

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
EP-2475660-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK GlaxoSmithKline LLC (US) 2012-07-18 EP disclosed
US-20120172333-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2012-07-05 US disclosed
US-20120172333-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2012-07-05 US disclosed
US-20120172333-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2012-07-05 US disclosed
WO-2011029855-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2011-03-17 WO disclosed
WO-2011029855-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2011-03-17 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 (1 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-20120172333-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK PRKAB1, PRKAG1, PRKAB2 ALDH1A1 1202/4885KMT2A 2761/4885HSD17B10 1997/4885

“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.