Sugi Predict

Sugi Predict / Compounds / SCHEMBL5168435

SCHEMBL5168435

SCHEMBL5168435

Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccc(-c4cccc(Cl)c4)o3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.48
▸ MAPT P10636 6/20 0.46
▸ ATM Q13315 1/20 0.43
▸ GAA P10253 7/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GFER P55789 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TP53 P04637 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ PKM P14618 1/20 0.40
▸ PKLR P30613 1/20 0.40
▸ CREBBP Q92793 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL5168291 0.84 GAA (0.43) MAPTGAAALDH1A1GFERKDM4E
SCHEMBL5166950 0.82 GAA (0.45) MAPTGAAALDH1A1GFERKDM4E
SCHEMBL5167585 0.81 GAA (0.47) MAPTGAAALDH1A1GFERKDM4E
SCHEMBL5169118 0.79 GAA (0.46) MAPTGAAALDH1A1GFERKDM4E
SCHEMBL5167066 0.78 GAA (0.55) MAPTGAAALDH1A1GFERKDM4E
SCHEMBL5168427 0.78 GAA (0.45) MAPTGAAALDH1A1GFERKDM4E
SCHEMBL17052785 0.78 TRPA1 (0.74) TRPA1MAPTATMGAAALDH1A1
SCHEMBL5166468 0.77 GAA (0.44) TRPA1MAPTGAAALDH1A1GFER
SCHEMBL5165197 0.77 GAA (0.50) TRPA1MAPTATMGAAALDH1A1
SCHEMBL5164851 0.77 GAA (0.44) MAPTGAAALDH1A1GFERKDM4E

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 TRPA1 467/4885MAPT 203/4885ATM 1780/4885

“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.