SCHEMBL9903399

SCHEMBL9903399

O=C(O)c1cnc2cc(Br)cnc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
ALOX15 P16050 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.41
DYRK1A Q13627 2/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AKR1B1 P15121 1/20 0.39
POLB P06746 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
MCL1 Q07820 2/20 0.35
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
MGAM O43451 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL9903279 0.88 ALDH1A1 (0.49) ALDH1A1ALOX15HPGDHSD17B10KDM4E
SCHEMBL9903632 0.76 PTK2 (0.55) ALDH1A1HPGDSMN1; SMN2MAPTTSHR
SCHEMBL13905401 0.76 ALDH1A1 (0.61) ALDH1A1ALOX15HPGDHSD17B10KDM4E
SCHEMBL17420276 0.76 KDM4E (0.55) ALDH1A1ALOX15HPGDHSD17B10KDM4E
SCHEMBL13905406 0.76 ALDH1A1 (0.61) ALDH1A1ALOX15HPGDHSD17B10KDM4E
SCHEMBL15870722 0.74 DYRK1B (0.52) ALDH1A1KDM4ESMN1; SMN2MAPTMAPK1
SCHEMBL3829336 0.71 ALOX15 (0.50) ALDH1A1ALOX15HPGDHSD17B10KDM4E
SCHEMBL933106 0.71 DYRK1A (0.46) ALDH1A1SMN1; SMN2DYRK1AMAPTMAPK1
SCHEMBL31153429 0.70 ALDH1A1 (0.39) ALDH1A1ALOX15HPGDHSD17B10KDM4E
SCHEMBL4681658 0.68 HTT (0.49) ALDH1A1SMN1; SMN2DYRK1AMAPTMAPK1

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
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US disclosed
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US disclosed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP 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-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS GRM5, GRIK5, GRM1 ALDH1A1 3284/4885ALOX15 1853/4885HPGD 1776/4885

“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.