SCHEMBL1104563

SCHEMBL1104563

CNc1nnc(-c2ccccc2-c2nc3ccc(F)c4n3c2Nc2c(C)cccc2-4)o1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30

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
SCHEMBL1104409 0.87 PIM1 (0.35) SMN1; SMN2TP53MAPTNPC1CASP3
SCHEMBL1104467 0.82 PTGER3 (0.34) ALOX15
SCHEMBL1103965 0.76 GAA (0.41) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL1086502 0.69 GAA (0.45) ALOX15SMN1; SMN2TP53MAPTALDH1A1
SCHEMBL1097401 0.61 GAA (0.43) ALOX15SMN1; SMN2TP53MAPTALDH1A1
SCHEMBL17819114 0.60 ALOX15 (1.00) ALOX15SMN1; SMN2TP53MAPTRAB9A
SCHEMBL1097755 0.59 GAA (0.43) SMN1; SMN2TP53MAPTALDH1A1
SCHEMBL1104524 0.57 NR1H4 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1087234 0.56 GAA (0.46) SMN1; SMN2TP53MAPTALDH1A1
SCHEMBL6449524 0.55 RAB9A (0.78) SMN1; SMN2MAPTNPC1CASP3RAB9A

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-8153649-B2 3-aminoimidazo 1,2-A pyridine derivatives having an SGLT1- and SGLT2-inhibiting action for the treatment of type 1 and type 2 diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-04-10 US disclosed
US-20100305142-A1 3-AMINOIMIDAZO 1,2-A PYRIDINE DERIVATIVES HAVING AN SGLT1- AND SGLT2-INHIBITING ACTION FOR THE TREATMENT OF TYPE 1 AND TYPE 2 DIABETES MERCK PATENT GESELLSCHAFT (DE) 2010-12-02 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-20100305142-A1 3-AMINOIMIDAZO 1,2-A PYRIDINE DERIVATIVES HAVING AN SGLT1- AND SGLT2-INHIBITING ACTION FOR THE TREATMENT OF TYPE 1 AND TYPE 2 DIABETES SLC5A1, SLC5A2, GLP1R ALOX15 4155/4885SMN1; SMN2 3273/4885TP53 4468/4885

“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.