SCHEMBL724258

SCHEMBL724258

Brc1cnc2[nH]c(-c3ccccc3Oc3cccnc3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.40
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
STAT1 P42224 1/20 0.36
RAB9A P51151 1/20 0.36
GRM5 P41594 1/20 0.35
CHEK2 O96017 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
CDK1 P06493 3/20 0.35
CYP19A1 P11511 1/20 0.34
CCNB2 O95067 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 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
SCHEMBL709150 0.90 GCK (0.41) PDE5ACDK1CDK5AURKACAMKK2
SCHEMBL13607761 0.80 PDE5A (0.52) PDE5AALDH1A1SMN1; SMN2HPGDCDK1
SCHEMBL13607846 0.73 PTGES (0.55) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL20708511 0.73 PTGES (0.55) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL4844661 0.72 PDE5A (0.37) PDE5ACDK1CDK5AURKAPTGES
SCHEMBL16418304 0.72 ADRA1A (0.47) PDE5AALDH1A1SMN1; SMN2LMNATDP1
Trifluoroacetic Acid SCHEMBL4843458 0.71 PDE5A (0.43) PDE5ACDK1CCNB2CCNB1GSK3A
SCHEMBL711165 0.71 CHEK2 (0.48) CHEK2PTGES
SCHEMBL13607760 0.70 PTGES (0.51) ALDH1A1SMN1; SMN2LMNAKDM4ENPC1
Pyridine SCHEMBL2655725 0.70 AURKA (0.38) ALDH1A1SMN1; SMN2KDM4ENPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US claimed
EP-1940837-A2 IMIDAZOPYRIDINE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-07-09 EP claimed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 WO claimed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
EP-1940837-A2 IMIDAZOPYRIDINE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-07-09 EP disclosed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 WO 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-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS GCK, GCKR, KHK PDE5A 593/4885ALDH1A1 832/4885SMN1; SMN2 3631/4885

“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.