SCHEMBL4308990

SCHEMBL4308990

CNCc1cc(-n2cccc2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
MAPK12 P53778 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
HTR2C P28335 4/20 0.38
SLC6A4 P31645 4/20 0.38
HTR2A P28223 2/20 0.38
HRH3 Q9Y5N1 1/20 0.35
MAPT P10636 1/20 0.34
AOC2 O75106 2/20 0.34
LMNA P02545 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2A6 P11509 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL17828141 0.81 POLB (0.42) MAPTAOC2ALDH1A1NPC1RAB9A
SCHEMBL4307851 0.77 POLB (0.39) MAPTAOC2ALDH1A1NPC1RAB9A
SCHEMBL27532059 0.72 POLB (0.51) MAPTAOC2ALDH1A1POLBMEN1
SCHEMBL10061638 0.71 KDM1A (0.49) MAPK13CSNK1DCSNK1EMAPK12KCNH2
SCHEMBL5861792 0.71 UHRF1 (0.46) MAPTALDH1A1CYP2A6NPC1RAB9A
SCHEMBL4301983 0.70 SIRT2 (0.54) MAPK13CSNK1DCSNK1EMAPK12KCNH2
SCHEMBL4307817 0.69 KCNH2 (0.43) MAPK13CSNK1DCSNK1EMAPK12KCNH2
SCHEMBL21527214 0.69 NOS3 (0.52) MAPK13CSNK1DCSNK1EMAPK12KCNH2
SCHEMBL10061637 0.69 MAPK13 (0.40) MAPK13CSNK1DCSNK1EMAPK12KCNH2
SCHEMBL17847863 0.69 KCNH2 (0.40) MAPK13CSNK1DCSNK1EMAPK12KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
EP-1981635-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS Ciba Holding Inc. (CH) 2008-10-22 EP disclosed
WO-2007090461-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA HOLDING INC. (CH) 2007-08-16 WO disclosed
WO-2007090461-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA HOLDING INC. (CH) 2007-08-16 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-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts MT-CO2, MT-CO1, SOD1 MAPK13 3939/4885CSNK1D 2317/4885CSNK1E 2272/4885

“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.