SCHEMBL5167399

SCHEMBL5167399

CC(=O)N(c1c(C)cccc1C)c1c(-c2ccccc2F)nc2cc(C)cc(C)n12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PRKD3 O94806 1/20 0.35
CLK2 P49760 1/20 0.35
DYRK1A Q13627 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
MBNL1 Q9NR56 1/20 0.34
DHODH Q02127 2/20 0.34
MAPK14 Q16539 2/20 0.33
CDK2 P24941 1/20 0.33
SCN9A Q15858 1/20 0.32
PDE10A Q9Y233 1/20 0.32
KMT2A Q03164 2/20 0.32
GRIN2B Q13224 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GRM2 Q14416 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31

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
SCHEMBL5166913 0.92 KMT2A (0.34) TP53MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL5168145 0.86 TSHR (0.37) TP53MAPTSMN1; SMN2PDE10AKMT2A
SCHEMBL5167547 0.85 NUDT1 (0.40) MAPK14SCN9AKMT2A
SCHEMBL5166544 0.84 CGAS (0.40) TP53MAPTSMN1; SMN2PRKD3CLK2
SCHEMBL5167407 0.80 GAA (0.41) TP53MAPTPRKD3CLK2DYRK1A
SCHEMBL5169040 0.79 MEN1 (0.39) TP53MAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL5164922 0.78 KMT2A (0.34) KMT2AMEN1TSHR
Hydrochloric Acid SCHEMBL5167238 0.77 MAPT (0.34) TP53MAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL5169452 0.75 HTT (0.38) TP53MAPTSMN1; SMN2MAPK14SCN9A
SCHEMBL5167572 0.74 KMT2A (0.34) MAPTKMT2AALDH1A1

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-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 claimed
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 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 TP53 3796/4885MAPT 203/4885SMN1; SMN2 59/4885

“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.