SCHEMBL3354437

SCHEMBL3354437

COc1ccc(Cn2ncc(-c3nsc(Nc4ccccn4)n3)c2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44
RELA Q04206 1/20 0.44
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42
F2 P00734 1/20 0.39
NPBWR1 P48145 6/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
NPSR1 Q6W5P4 1/20 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
SCHEMBL3354840 0.88 MAPT (0.41) MAPTSMN1; SMN2MEN1NPC1NFKB1
SCHEMBL3357298 0.82 MEN1 (0.43) MAPTSMN1; SMN2MEN1NPC1NFKB1
SCHEMBL3356349 0.78 MEN1 (0.41) MAPTSMN1; SMN2MEN1NPC1NFKB1
SCHEMBL3353129 0.76 NPC1 (0.56) MAPTSMN1; SMN2MEN1NPC1NFKB1
SCHEMBL3355868 0.75 NPC1 (0.58) MAPTSMN1; SMN2MEN1NPC1NFKB1
SCHEMBL2511980 0.73 NPC1 (0.56) MAPTSMN1; SMN2MEN1NPC1NFKB1
SCHEMBL4243223 0.71 NPC1 (0.42) MAPTSMN1; SMN2MEN1NPC1MAPK1
SCHEMBL22583454 0.71 SMN1; SMN2 (0.48) MAPTSMN1; SMN2MEN1NPC1NFKB1
SCHEMBL30000981 0.71 SMN1; SMN2 (0.48) MAPTSMN1; SMN2MEN1NPC1NFKB1
SCHEMBL4236943 0.70 MEN1 (0.57) MAPTSMN1; SMN2MEN1NPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009010871-A2 PYRAZOLE DERIVATIVES AS ANTAGONISTS OF ADENOSINE A3 RECEPTOR ADDEX PHARMA S.A. (CH) 2009-01-22 WO claimed
US-8524718-B2 Heteroaromatic derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 US disclosed
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE (CH) 2012-12-27 US disclosed
US-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-10 US 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 (2 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-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM4, GRM2 MAPT 1440/4885SMN1; SMN2 2193/4885MEN1 3884/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 MAPT 1498/4885SMN1; SMN2 2412/4885MEN1 3722/4885

“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.