SCHEMBL1103965

SCHEMBL1103965

Cc1cccc2c1Nc1c(-c3ccccc3-c3cccnc3)nc3ccc(F)c-2n13

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.41
KDM4E B2RXH2 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.36
NPY5R Q15761 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
AHR P35869 1/20 0.35
TP53 P04637 3/20 0.35
MAPT P10636 2/20 0.35
CYP2A6 P11509 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34

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 0.78 PIM1 (0.35) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1104524 0.66 NR1H4 (0.44) KDM4ESMN1; SMN2MAPK1ALDH1A1NPC1
SCHEMBL1097746 0.66 GAA (0.55) GAAKDM4ESMN1; SMN2MAPK1LMNA
SCHEMBL13545698 0.64 CYP2A6 (0.53) KDM4ESMN1; SMN2ALDH1A1LMNANPY5R
SCHEMBL21742497 0.64 KDM4E (0.58) GAAKDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL3752648 0.64 KDM4E (0.61) GAAKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL12117598 0.63 CYP2A6 (0.54) KDM4ESMN1; SMN2ALDH1A1LMNANPY5R
SCHEMBL13727360 0.63 CYP11B1 (0.54) KDM4ESMN1; SMN2ALDH1A1POLBNPC1
SCHEMBL30026143 0.62 CYP2A6 (0.70) GAAKDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL20541087 0.62 CYP2A6 (0.70) GAAKDM4ESMN1; SMN2ALDH1A1POLB

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 GAA 2135/4885KDM4E 1576/4885SMN1; SMN2 3273/4885

“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.