SCHEMBL5748537

SCHEMBL5748537

COC(=O)c1cc(Cl)c(N)nc1N

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.54
SLC9A1 P19634 1/20 0.54
NQO2 P16083 7/20 0.49
ABL1 P00519 1/20 0.49
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.42
GLA P06280 2/20 0.42
MAPT P10636 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.42
CFTR P13569 1/20 0.42

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
SCHEMBL7395768 0.85 GAA (0.54) GAASLC9A1NQO2ABL1KDM4E
SCHEMBL25988894 0.82 RXFP1 (0.50) GAASLC9A1NQO2ABL1KDM4E
SCHEMBL29923806 0.81 CFTR (0.47) GAANQO2ABL1KDM4EALDH1A1
SCHEMBL23605399 0.81 ABL1 (0.51) GAANQO2ABL1KDM4EALDH1A1
SCHEMBL25988890 0.80 GAA (0.46) GAANQO2ABL1KDM4EALDH1A1
SCHEMBL19037342 0.79 KDM4E (0.47) GAANQO2ABL1KDM4EALDH1A1
SCHEMBL27801681 0.79 ALDH1A1 (0.48) GAANQO2ABL1KDM4EALDH1A1
SCHEMBL30843967 0.78 KEAP1 (0.49) GAANQO2ABL1KDM4EALDH1A1
SCHEMBL27235549 0.78 KEAP1 (0.49) GAANQO2ABL1KDM4EALDH1A1
SCHEMBL23674344 0.77 SLC9A1 (0.61) SLC9A1KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230108442-A1 NOVEL ANTIMALARIAL AGENT CONTAINING HETEROCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-04-06 US disclosed
US-7012080-B2 Imidazopyridine compounds as 5-HT4 receptor agonists PFIZER INC. (US) 2006-03-14 US disclosed
EP-1620435-A1 IMADAZOPYRIDINE COMPOUNDS HAVING 5-HT sb 4 /sb RECEPTOR AGONISTIC ACTIVITY AND 5-HT sb 3 /sb RECEPTOR ANTAGONISTIC ACTIVITY PFIZER INC. (US) 2006-02-01 EP disclosed
EP-1440071-B1 IMIDAZOPYRIDINE COMPOUNDS AS 5-HT 4? RECEPTOR MODULATORS PFIZER (US) 2005-10-26 EP disclosed
US-6951867-B2 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators PFIZER INC. (US) 2005-10-04 US disclosed
EP-1543005-A1 IMIDAZOPYRIDINE COMPUNDS AS 5-HT4 RECEPTOR AGONISTS PFIZER INC. (US) 2005-06-22 EP disclosed
EP-1543004-A1 N-SUBSTITUTED PIPERIDINYL-IMIDAZOPYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER INC. (US) 2005-06-22 EP disclosed
US-20040266814-A1 Imidazopyridine compounds having 5-HT4 receptor agonistic activity and 5-HT3 receptor antagonistic activity PFIZER INC 2004-12-30 US disclosed
WO-2004094418-A1 IMIDAZOPYRIDINE COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY AND 5-HT3 RECEPTOR ANTAGONISTIC ACTIVITY PFIZER INC. (US) 2004-11-04 WO disclosed
EP-1440071-A1 IMIDAZOPYRIDINE COMPOUNDS AS 5-HT 4? RECEPTOR MODULATORS Pfizer Japan Inc. (JP) 2004-07-28 EP disclosed
US-20040127514-A1 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators PFIZER INC 2004-07-01 US disclosed
US-20040122043-A1 Imidazopyridine compounds as 5-HT4 receptor agonists PFIZER INC 2004-06-24 US disclosed
WO-2004026869-A1 IMIDAZOPYRIDINE COMPUNDS AS 5-HT4 RECEPTOR AGONISTS PFIZER JAPAN INC. (JP) 2004-04-01 WO disclosed
WO-2004026868-A1 N-SUBSTITUTED PIPERIDINYL-IMIDAZOPYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER JAPAN INC. (JP) 2004-04-01 WO disclosed
US-20040034226-A1 Imidazopyridine compounds as 5-HT4 receptor modulators UCHIDA CHIKARA (JP) 2004-02-19 US disclosed
US-6624162-B2 5-HT4 receptor binding activity, and thus are useful for the treatment of gastroesophageal reflux disease, non-ulcer dyspepsia, Functional dyspepsia, irritable bowel syndrome or the like in mammalian, especially humans. PFIZER INC. 2003-09-23 US disclosed
US-20030092699-A1 Imidazopyridine compounds as 5-HT4 receptor modulators PFIZER INC. 2003-05-15 US disclosed
WO-2003035649-A1 IMIDAZOPYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER JAPAN INC. (JP) 2003-05-01 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 (6 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-20030092699-A1 Imidazopyridine compounds as 5-HT4 receptor modulators HTR4, HRH4, HRH2 GAA 3781/4885SLC9A1 268/4885NQO2 1768/4885
US-20040127514-A1 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators HTR4, HRH4, HRH2 GAA 3732/4885SLC9A1 334/4885NQO2 2362/4885
US-20230108442-A1 NOVEL ANTIMALARIAL AGENT CONTAINING HETEROCYCLIC COMPOUND QDPR, DHODH, THPO GAA 1943/4885SLC9A1 1923/4885NQO2 177/4885
US-20040266814-A1 Imidazopyridine compounds having 5-HT4 receptor agonistic activity and 5-HT3 receptor antagonistic activity HTR4, HRH4, GIPR GAA 3755/4885SLC9A1 1038/4885NQO2 4055/4885
US-20040122043-A1 Imidazopyridine compounds as 5-HT4 receptor agonists HTR4, GPR4, HRH4 GAA 3990/4885SLC9A1 496/4885NQO2 3480/4885
US-20040034226-A1 Imidazopyridine compounds as 5-HT4 receptor modulators HRH4, HTR4, HRH2 GAA 3701/4885SLC9A1 276/4885NQO2 1715/4885

“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.