SCHEMBL5166137

SCHEMBL5166137

Cc1cc(C)n2c(NC3CCCCC3)c(C3CCCCC3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
ALOX5 P09917 8/20 0.45
GFER P55789 3/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.44
ADORA1 P30542 1/20 0.42
KDM4E B2RXH2 4/20 0.41
MAPK1 P28482 2/20 0.41
KCNN2 Q9H2S1 1/20 0.40
KCNN3 Q9UGI6 1/20 0.40
HTT P42858 2/20 0.39
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PABPC1 P11940 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5169560 0.86 ALDH1A1 (0.61) ALDH1A1LMNATSHRALOX5GFER
SCHEMBL6651475 0.83 CREBBP (0.40) ALDH1A1LMNATSHRALOX5GFER
SCHEMBL1970088 0.83 BACE1 (0.48) ALDH1A1LMNATSHRALOX5GFER
SCHEMBL1965193 0.83 BACE1 (0.48) ALDH1A1LMNATSHRALOX5GFER
SCHEMBL1965490 0.82 ALDH1A1 (0.65) ALDH1A1LMNATSHRALOX5GFER
SCHEMBL5166144 0.81 ADORA1 (0.57) ALDH1A1LMNAALOX5GFERGAA
SCHEMBL5165614 0.80 GAA (0.67) ALDH1A1LMNATSHRALOX5GFER
SCHEMBL5167594 0.80 ATM (0.37) ALDH1A1LMNATSHRMAPTKDM4E
SCHEMBL1967940 0.80 ALDH1A1 (0.45) ALDH1A1LMNATSHRALOX5GFER
Hydrochloric Acid SCHEMBL5167299 0.79 GAA (0.65) ALDH1A1LMNATSHRALOX5GFER

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 6 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
EP-1326613-A1 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 Grünenthal GmbH (DE) 2003-07-16 EP disclosed
WO-2002030428-A1 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 Grünenthal GmbH (DE) 2002-04-18 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-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 ALDH1A1 3066/4885LMNA 802/4885TSHR 3649/4885

“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.