SCHEMBL5164949

SCHEMBL5164949

Cc1ccn2c(NC3CCCCC3)c(-c3ccccc3F)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
GAA P10253 4/20 0.66
GFER P55789 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
LMNA P02545 2/20 0.66
HTT P42858 1/20 0.66
ALOX5 P09917 2/20 0.65
TSHR P16473 1/20 0.64
MAPT P10636 3/20 0.63
KDM4E B2RXH2 3/20 0.61
MAPK1 P28482 2/20 0.61
RAB9A P51151 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
TP53 P04637 1/20 0.59
BACE1 P56817 1/20 0.57
ADORA1 P30542 1/20 0.55
ATM Q13315 3/20 0.54
TRIM24 O15164 2/20 0.49
TRIM33 Q9UPN9 2/20 0.49

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
SCHEMBL5166419 0.89 ALOX5 (0.68) ALDH1A1GAAGFERSMN1; SMN2LMNA
SCHEMBL1966519 0.87 ALDH1A1 (0.66) ALDH1A1GAAGFERSMN1; SMN2LMNA
SCHEMBL5167149 0.87 ALDH1A1 (0.66) ALDH1A1GAAGFERSMN1; SMN2LMNA
SCHEMBL5168890 0.86 ALDH1A1 (0.62) ALDH1A1GAAGFERSMN1; SMN2LMNA
SCHEMBL5167460 0.86 ALDH1A1 (0.64) ALDH1A1GAAGFERSMN1; SMN2LMNA
SCHEMBL2984312 0.86 ALOX5 (0.70) ALDH1A1GAAGFERSMN1; SMN2LMNA
SCHEMBL1966867 0.86 ALDH1A1 (0.67) ALDH1A1GAAGFERSMN1; SMN2LMNA
SCHEMBL13464229 0.86 ALDH1A1 (0.67) ALDH1A1GAAGFERSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL5167264 0.85 ALDH1A1 (0.61) ALDH1A1GAAGFERSMN1; SMN2LMNA
SCHEMBL1971466 0.85 ADORA1 (0.64) ALDH1A1GAAGFERALOX5MAPT

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 ALDH1A1 3066/4885GAA 536/4885GFER 2922/4885

“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.