Sugi Predict

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SCHEMBL5166045

SCHEMBL5166045

CC(=O)N(c1c(-c2cccc(Cl)c2Cl)nc2ccccn12)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 2/20 0.44
▸ MAPK12 P53778 2/20 0.44
▸ MAPK11 Q15759 2/20 0.44
▸ MAPK14 Q16539 2/20 0.44
▸ KMT2A Q03164 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ TOP2A P11388 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ GABRA1 P14867 1/20 0.35

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
SCHEMBL5169187 0.83 GAA (0.43) KMT2AALDH1A1NPC1RAB9AHPGD
SCHEMBL5167737 0.82 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL5167216 0.81 HSD17B10 (0.40) KMT2AHSP90AA1HSP90AB1TOP2AALDH1A1
SCHEMBL5165831 0.79 KDM4E (0.47) MAPK13MAPK12MAPK11MAPK14HSP90AA1
SCHEMBL6752006 0.76 KMT2A (0.39) KMT2ATOP2AALDH1A1CYP1A2CYP2C9
SCHEMBL5166367 0.75 GAA (0.56) KMT2AALDH1A1HPGDKDM4EGAA
SCHEMBL6750698 0.73 RPS6KB2 (0.42) KMT2ATOP2AALDH1A1RAB9AHPGD
SCHEMBL5166912 0.72 MAPT (0.43) KMT2AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL5167941 0.71 PKM (0.39) KMT2ATOP2AALDH1A1CYP1A2CYP2C9
SCHEMBL5166739 0.69 MAPT (0.38) MAPK13MAPK12MAPK11MAPK14NPC1

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 MAPK13 1308/4885MAPK12 1269/4885MAPK11 1890/4885

“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.