Sugi Predict

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SCHEMBL5166493

SCHEMBL5166493

COC(=O)CN(C(C)=O)c1c(-c2cccc(O)c2)nc2ccc(C)cn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ NR1H4 Q96RI1 4/20 0.42
▸ GAA P10253 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ATM Q13315 2/20 0.41
▸ LMNA P02545 2/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39
▸ TUBA4A P68366 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
SCHEMBL5166799 0.76 RAB9A (0.54) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL7083519 0.73 KDM4E (0.43) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL5166134 0.69 GABRA1 (0.52) KDM4EHPGDHSD17B10NPC1RAB9A
SCHEMBL6903155 0.69 LMNA (0.45) ALDH1A1TSHRLMNACYP3A4
SCHEMBL5167958 0.68 ALDH1A1 (0.45) KDM4EHSD17B10ALDH1A1TSHRNPC1
SCHEMBL2930904 0.66 GABRA1 (0.70) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL5167387 0.64 GAA (0.42) KDM4EHPGDHSD17B10ALDH1A1GAA
SCHEMBL1691250 0.63 NR1H4 (0.61) HSD17B10TSHRNR1H4ATMALOX5
SCHEMBL5164549 0.63 GABRA1 (0.50) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL5166951 0.62 MAPT (0.43) KDM4EHPGDALDH1A1GAATP53

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 KDM4E 3834/4885HPGD 38/4885HSD17B10 2410/4885

“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.