SCHEMBL1492332

SCHEMBL1492332

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
PDE4D Q08499 1/20 0.51
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 5/20 0.48
MAPT P10636 3/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 2/20 0.48
CASP3 P42574 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
Hydrochloric Acid SCHEMBL1492314 0.99 SMN1; SMN2 (0.51) SMN1; SMN2PDE4DALDH1A1KDM4EMAPT
SCHEMBL1492230 0.87 LMNA (0.57) SMN1; SMN2ALDH1A1KDM4EMAPTHPGD
SCHEMBL18955943 0.85 GABRA2 (0.51) SMN1; SMN2ALDH1A1KDM4EMAPTHPGD
SCHEMBL1492363 0.85 CASP3 (0.47) SMN1; SMN2PDE4DALDH1A1KDM4EMAPT
SCHEMBL19643804 0.85 ALDH1A1 (0.57) PDE4DALDH1A1KDM4EMAPTHSD17B10
Hydrochloric Acid SCHEMBL1492383 0.84 CASP3 (0.46) SMN1; SMN2PDE4DALDH1A1KDM4EMAPT
SCHEMBL1492335 0.80 ALDH1A1 (0.52) SMN1; SMN2PDE4DALDH1A1KDM4EMAPT
SCHEMBL8059093 0.79 HTT (0.54) SMN1; SMN2PDE4DALDH1A1KDM4EMAPT
SCHEMBL2887305 0.78 PDE4D (0.53) SMN1; SMN2PDE4DALDH1A1KDM4EMAPT
SCHEMBL1492360 0.77 UCHL1 (0.42) SMN1; SMN2PDE4DALDH1A1KDM4EMAPT

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 SMN1; SMN2 4359/4885PDE4D 323/4885ALDH1A1 1202/4885

“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.