SCHEMBL5166144

SCHEMBL5166144

Cc1cc(C)n2c(NC3CCCCC3)c(-c3ccccc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.57
ALOX5 P09917 10/20 0.55
GAA P10253 4/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 2/20 0.53
GFER P55789 2/20 0.53
PABPC1 P11940 1/20 0.49
HTT P42858 2/20 0.48
BACE1 P56817 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL5165614 0.89 GAA (0.67) ADORA1ALOX5GAAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5167299 0.88 GAA (0.65) ADORA1ALOX5GAAALDH1A1SMN1; SMN2
SCHEMBL5168292 0.88 PABPC1 (0.66) ADORA1ALOX5GAAALDH1A1SMN1; SMN2
SCHEMBL5166636 0.84 GAA (0.69) ADORA1ALOX5GAAALDH1A1SMN1; SMN2
SCHEMBL15152565 0.84 ALOX5 (0.49) ADORA1ALOX5GAAALDH1A1SMN1; SMN2
SCHEMBL7083359 0.84 ALOX5 (0.48) ADORA1ALOX5GAAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5169512 0.83 ALOX5 (0.47) ADORA1ALOX5GAAALDH1A1SMN1; SMN2
SCHEMBL7083935 0.83 ALOX5 (0.49) ADORA1ALOX5GAAALDH1A1SMN1; SMN2
SCHEMBL5165259 0.83 PRKAB2 (0.47) ADORA1ALOX5GAAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5166124 0.82 ALOX5 (0.48) ADORA1ALOX5GAAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS GRUENENTHAL GMBH (DE) 2004-02-05 US claimed
EP-1326613-B2 USE OF SUBSTITUTED IMIDAZO 1,2-A|PYRIDINE-, IMIDAZO ¬1,2-A|PYRIMIDINE AND IMIDAZO ¬1,2-A|PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2007-04-18 EP disclosed
EP-1326613-B1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO [1,2-A]PYRIMIDINE AND IMIDAZO [1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2004-06-02 EP disclosed
US-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS GRUENENTHAL GMBH (DE) 2004-02-05 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-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS NOS1, PTGIS, NOS2 ADORA1 186/4885ALOX5 115/4885GAA 536/4885

“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.