SCHEMBL5164734

SCHEMBL5164734

CC(=O)N(c1c(-c2cccnc2)nc2cc(C)ccn12)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.46
TP53 P04637 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PABPC1 P11940 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GFER P55789 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 1/20 0.41
ATM Q13315 2/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
CGAS Q8N884 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL5165659 0.85 PABPC1 (0.41) GAATP53HTTKDM4EMEN1
SCHEMBL5165767 0.82 GAA (0.56) GAATP53HTTMEN1KMT2A
Hydrochloric Acid SCHEMBL5166037 0.81 LMNA (0.45) GAAHTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL5164712 0.80 MAPT (0.44) GAATP53HTTKDM4EMEN1
SCHEMBL5168630 0.80 ALDH1A1 (0.56) GAAKDM4EALDH1A1SMN1; SMN2GFER
SCHEMBL5167743 0.79 GAA (0.55) GAATP53HTTKDM4EMEN1
SCHEMBL5165861 0.79 ATM (0.41) GAAHTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL6748606 0.77 MGLL (0.38) GAATP53HTTKDM4EALDH1A1
SCHEMBL5170127 0.76 TP53 (0.46) GAATP53HTTKDM4EMEN1
SCHEMBL5166774 0.75 SLC2A1 (0.35) GAATP53KMT2AALDH1A1SMN1; 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 GAA 536/4885TP53 3796/4885HTT 37/4885

“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.