SCHEMBL2289203

SCHEMBL2289203

Cc1cccc(C)c1Nc1cnc2ccccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.50
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
HTT P42858 3/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TP53 P04637 3/20 0.46
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.44
IRAK4 Q9NWZ3 2/20 0.42
NTRK1 P04629 1/20 0.41
FLT1 P17948 1/20 0.41
CDK8 P49336 1/20 0.41
CDK9 P50750 1/20 0.41
LIMK1 P53667 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL24967123 0.77 IRAK4 (0.56) GAAMAPTSMN1; SMN2NPSR1HTT
SCHEMBL2140506 0.76 NPSR1 (0.46) GAAMAPTSMN1; SMN2NPSR1TP53
SCHEMBL2291015 0.75 MAPT (0.41) GAAMAPTSMN1; SMN2NPSR1HTT
SCHEMBL20265585 0.73 PLAU (0.49) GAANPSR1NPC1HPGDRAB9A
SCHEMBL31744883 0.72 IRAK4 (0.45) GAAMAPTNPSR1MAPK1NPC1
SCHEMBL84864 0.70 NPSR1 (0.50) GAAMAPTSMN1; SMN2NPSR1KMT2A
Dimethylamine SCHEMBL7859896 0.69 NPSR1 (0.46) GAAMAPTSMN1; SMN2NPSR1HTT
SCHEMBL16051889 0.69 TGFBR1 (0.49) MAPTSMN1; SMN2NPSR1TP53NPC1
Methylamine SCHEMBL9796918 0.69 ADRA1B (0.44) MAPTSMN1; SMN2NPSR1TP53NPC1
SCHEMBL10518268 0.68 ALDH1A1 (0.56) GAAMAPTSMN1; SMN2NPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258151-B2 3-aminoimidazo [1,2-A] pyridine derivatives as SGLT inhibitors MERCK PATENT GMBH (DE) 2012-09-04 US disclosed
US-20110195991-A1 3-AMINOIMIDAZO [1,2-A] PYRIDINE DERIVATIVES AS SGLT INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2011-08-11 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-20110195991-A1 3-AMINOIMIDAZO [1,2-A] PYRIDINE DERIVATIVES AS SGLT INHIBITORS GLP1R, SLC5A1, SLC5A2 GAA 1202/4885MAPT 1138/4885SMN1; SMN2 3644/4885

“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.