SCHEMBL1492356

SCHEMBL1492356

CCOC(=O)c1[nH]c(Cl)cc1NC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
GALR2 O43603 1/20 0.46
MITF O75030 1/20 0.46
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.46
XBP1 P17861 1/20 0.46
CCR6 P51684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
USP2 O75604 2/20 0.44
KMT2A Q03164 3/20 0.44
ALOX15 P16050 2/20 0.44
MMP13 P45452 1/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL12495777 0.82 LMNA (0.41) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL10008076 0.81 HSD17B10 (0.43) KDM4EALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL24392298 0.78 CYP1A2 (0.49) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL5863570 0.78 CYP1A2 (0.49) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL28896612 0.75 ALDH1A1 (0.48) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL28896517 0.75 TSHR (0.46) KDM4EALDH1A1SMN1; SMN2LMNAUSP2
SCHEMBL8832185 0.74 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL17027606 0.73 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1492325 0.73 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL9895658 0.72 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130345243-A1 1H-PYROLLO[3,2-D]PYRIMIDINEDIONE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2013-12-26 US disclosed
EP-2566868-A1 PYRROLO [3, 2 -D]PYRIMIDIN-3 -YL DERIVATIVES USED AS ACTIVATORS OF AMPK GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130053407-A1 PYRROLO [3,2-D] PYRIMIDIN-3-YL DERIVATIVES USED AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2013-02-28 US disclosed
WO-2012119979-A1 1H-PYROLLO[3,2-d]PYRIMIDINEDIONE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2012-09-13 WO disclosed
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
WO-2011138307-A1 PYRROLO [3, 2 -D] PYRIMIDIN-3 -YL DERIVATIVES USED AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2011-11-10 WO 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 (3 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 KDM4E 1540/4885ALDH1A1 1202/4885HPGD 499/4885
US-20130053407-A1 PYRROLO [3,2-D] PYRIMIDIN-3-YL DERIVATIVES USED AS ACTIVATORS OF AMPK PRKAG2, PRKAB2, PRKAG3 KDM4E 2191/4885ALDH1A1 1451/4885HPGD 777/4885
US-20130345243-A1 1H-PYROLLO[3,2-D]PYRIMIDINEDIONE DERIVATIVES PRKAB1, PRKAG1, PRKAB2 KDM4E 1747/4885ALDH1A1 913/4885HPGD 349/4885

“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.