SCHEMBL9905696

SCHEMBL9905696

C=CCn1cnc2cc(Br)cnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.36
NPC1 O15118 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 5/20 0.33
CSF1R P07333 2/20 0.33
PDE4A P27815 1/20 0.33
ADORA2A P29274 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HSD17B10 Q99714 2/20 0.33
MET P08581 1/20 0.32
DYRK1A Q13627 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL17488207 0.75 NPC1 (0.42) ADORA2BNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20986036 0.75 ADORA2A (0.41) ADORA2BCSF1RPDE4AADORA2APDE4B
SCHEMBL10893089 0.74 NPC1 (0.46) NPC1HPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1079073 0.73 FDPS (0.50) ADORA2BNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL24933390 0.73 GABRG2 (0.41) CSF1R
SCHEMBL20985870 0.72 ADORA2A (0.44) ADORA2BSMN1; SMN2CSF1RADORA2AHSD17B10
SCHEMBL2323010 0.71 HDAC1 (0.40) CSF1RHSD17B10TDP1
SCHEMBL8876041 0.70 KMT2A (0.48) ADORA2BNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL10889568 0.70 PRPS1 (0.47) ADORA2BNPC1RAB9AHSD17B10MEN1
SCHEMBL3389333 0.70 GRM5 (0.49) SMN1; SMN2ALDH1A1ADORA2AHSD17B10DYRK1A

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 2 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
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 ADORA2B 368/4885NPC1 1327/4885HPGD 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.