SCHEMBL2592876

SCHEMBL2592876

CCOC(=O)c1c(NC(N)=O)cc(Cl)n1-c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
CHRNA7 P36544 1/20 0.42
ATM Q13315 1/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 3/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR35 Q9HC97 1/20 0.39
CASP3 P42574 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 3/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL1492311 0.90 KMT2A (0.42) MAPTALDH1A1GAACHRNA7ATM
SCHEMBL1492340 0.84 HSD17B10 (0.41) MAPTALDH1A1GAACHRNA7ATM
SCHEMBL1492309 0.83 MAPT (0.47) MAPTALDH1A1GAACHRNA7ATM
Hydrochloric Acid SCHEMBL2592538 0.82 MAPT (0.46) MAPTALDH1A1GAACHRNA7ATM
SCHEMBL1492350 0.79 SMN1; SMN2 (0.43) MAPTALDH1A1GAAHPGDHTT
SCHEMBL1492272 0.77 ALDH1A1 (0.52) MAPTALDH1A1GAACHRNA7HPGD
SCHEMBL10008769 0.77 EGFR (0.44) MAPTALDH1A1GAAATMHTT
SCHEMBL1492252 0.76 MAPK8 (0.50) MAPTALDH1A1GAAHPGDMAPK1
SCHEMBL10008612 0.76 MAPK8 (0.50) MAPTALDH1A1GAAHPGDHTT
SCHEMBL10008143 0.75 MAPK8 (0.48) MAPTALDH1A1GAAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2011138307-A1 PYRROLO [3, 2 -D] PYRIMIDIN-3 -YL DERIVATIVES USED AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2011-11-10 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-20130053407-A1 PYRROLO [3,2-D] PYRIMIDIN-3-YL DERIVATIVES USED AS ACTIVATORS OF AMPK PRKAG2, PRKAB2, PRKAG3 MAPT 2392/4885ALDH1A1 1451/4885GAA 711/4885

“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.