SCHEMBL14153752

SCHEMBL14153752

Brc1ccc(-c2nc3c([nH]2)CCCC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.49
TNKS2 Q9H2K2 4/20 0.47
WNT3A P56704 2/20 0.47
MAPK13 O15264 4/20 0.41
GCGR P47871 4/20 0.41
MAPK12 P53778 4/20 0.41
MAPK11 Q15759 4/20 0.41
MAPK14 Q16539 4/20 0.41
TNKS O95271 3/20 0.41
PARP1 P09874 2/20 0.41
BRD4 O60885 1/20 0.41
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL25220187 0.83 SMPD3 (0.49) SMPD3TNKS2WNT3AMAPK13GCGR
SCHEMBL14153754 0.83 KMT2A (0.54) SMPD3TNKS2WNT3AMAPK13MAPK12
SCHEMBL6861541 0.82 KMT2A (0.57) SMPD3TNKS2WNT3ATNKSPARP1
SCHEMBL21197837 0.79 PDCD1 (0.51) TNKS2WNT3AMAPK13GCGRMAPK12
SCHEMBL11844688 0.79 TNKS2 (0.50) SMPD3TNKS2WNT3AGCGRTNKS
SCHEMBL21198437 0.79 TNKS2 (0.44) TNKS2WNT3AMAPK13GCGRMAPK12
SCHEMBL22967317 0.78 TNKS2 (0.67) TNKS2WNT3AMAPK13GCGRMAPK12
SCHEMBL28447181 0.78 TNKS2 (0.63) TNKS2WNT3AMAPK13GCGRMAPK12
SCHEMBL15913449 0.76 KMT2A (0.44) SMPD3TNKS2WNT3ATNKSPARP1
SCHEMBL21217826 0.72 TNKS2 (0.47) TNKS2WNT3AMAPK13GCGRMAPK12

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-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-08-07 US disclosed
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-08-07 US disclosed
WO-2012162635-A1 METABOTROPIC GLUTAMATE RECEPTORS 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-11-29 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-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 SMPD3 2019/4885TNKS2 4115/4885WNT3A 4508/4885

“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.