SCHEMBL1744879

SCHEMBL1744879

CCCNc1nc2c(s1)CCc1ccccc1-2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
ALOX5 P09917 1/20 0.57
KMT2A Q03164 5/20 0.56
LMNA P02545 5/20 0.56
MEN1 O00255 4/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 2/20 0.56
ALOX12 P18054 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
XIAP P98170 1/20 0.55
ADORA1 P30542 1/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.51
USP2 O75604 1/20 0.51
HTT P42858 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
SCHEMBL27834222 0.92 POLB (0.58) POLBALOX5KMT2ALMNAMEN1
SCHEMBL20653276 0.79 ADORA1 (0.56) POLBALOX5KMT2ALMNAMEN1
SCHEMBL1746834 0.78 ALOX5 (0.77) POLBALOX5KMT2ALMNAMEN1
Hydrochloric Acid SCHEMBL9251846 0.78 USP2 (0.54) POLBALOX5KMT2ALMNAMEN1
SCHEMBL10076399 0.73 ADORA1 (0.64) POLBALOX5KMT2ALMNAMEN1
SCHEMBL2703923 0.73 KMT2A (0.50) POLBALOX5KMT2ALMNAMEN1
SCHEMBL27623138 0.72 ADORA1 (0.47) POLBALOX5KMT2ALMNAMEN1
SCHEMBL26817858 0.71 POLB (0.58) POLBALOX5KMT2ALMNAMEN1
SCHEMBL30953833 0.70 ADORA1 (0.97) POLBKMT2ALMNAMEN1NPC1
SCHEMBL1745165 0.70 ADORA1 (0.97) POLBKMT2ALMNAMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 EP disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP 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-20090012093-A1 Receptor Function Regulator GPR119, GIPR, INSR POLB 4877/4885ALOX5 3500/4885KMT2A 4408/4885

“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.