SCHEMBL2128197

SCHEMBL2128197

Cc1cccc(NCc2cccnc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.58
POLB P06746 1/20 0.58
CYP1A2 P05177 8/20 0.56
CYP2D6 P10635 7/20 0.56
CYP3A4 P08684 7/20 0.56
CYP2C19 P33261 7/20 0.56
HSD17B10 Q99714 7/20 0.56
ALDH1A1 P00352 6/20 0.56
CLK4 Q9HAZ1 5/20 0.56
MAPK1 P28482 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
ALOX15 P16050 3/20 0.56
LTA4H P09960 1/20 0.53
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 2/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL14145696 0.84 MEN1 (0.62) MEN1KMT2AL3MBTL1POLBCYP1A2
SCHEMBL3174186 0.82 L3MBTL1 (0.69) MEN1KMT2AL3MBTL1POLBHSD17B10
SCHEMBL12431094 0.78 IGF1R (0.54) MEN1KMT2AL3MBTL1POLBCYP1A2
SCHEMBL12200817 0.77 CYP1A2 (0.64) MEN1KMT2APOLBCYP1A2CYP2D6
SCHEMBL3933500 0.76 FABP1 (0.71) MEN1KMT2AL3MBTL1POLBCYP1A2
SCHEMBL30074037 0.76 FABP1 (0.71) MEN1KMT2AL3MBTL1POLBCYP1A2
SCHEMBL1108645 0.75 ALDH1A1 (0.65) MEN1KMT2AL3MBTL1POLBCYP1A2
SCHEMBL16220824 0.74 NOS2 (0.72) MEN1KMT2AL3MBTL1POLBCYP1A2
SCHEMBL14243750 0.74 CYP1A2 (0.55) MEN1KMT2AL3MBTL1POLBCYP1A2
SCHEMBL3948160 0.73 ALDH1A1 (0.77) MEN1KMT2AL3MBTL1POLBCYP1A2

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-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-04-26 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-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 MEN1 3018/4885KMT2A 403/4885L3MBTL1 3212/4885

“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.