SCHEMBL4497731

SCHEMBL4497731

c1cncc(Cc2noc(Cc3cccnc3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MMP2 P08253 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
S1PR1 P21453 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL13684193 0.82 MMP2 (0.46) TSHRMAPK1TDP1CYP1A2CYP2D6
SCHEMBL13776650 0.82 MMP2 (0.46) TSHRCYP1A2CYP2D6L3MBTL1CYP3A4
SCHEMBL1432043 0.77 RECQL (0.47) TSHRCYP1A2CYP3A4CYP2C9MMP2
SCHEMBL26416251 0.76 MAPK1 (0.70) TSHRMAPK1TDP1L3MBTL1S1PR1
SCHEMBL16996646 0.74 MMP2 (0.65) TDP1CYP1A2CYP2D6L3MBTL1MMP2
SCHEMBL727185 0.73 CYP1A2 (0.62) TDP1CYP1A2CYP2D6L3MBTL1MMP2
SCHEMBL3525267 0.72 PPARA (0.45) TSHRMAPK1L3MBTL1GAAMMP2
SCHEMBL28818109 0.70 MMP2 (0.51) CYP1A2CYP2D6MMP2HRH4HRH3
SCHEMBL29167032 0.70 MMP2 (0.51) CYP1A2CYP2D6MMP2HRH4HRH3
SCHEMBL6272181 0.70 MMP2 (0.51) CYP1A2CYP2D6MMP2HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 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 (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-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 TSHR 2802/4885MAPK1 4285/4885TDP1 4240/4885

“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.