Sugi Predict

Sugi Predict / Compounds / SCHEMBL954143

SCHEMBL954143

SCHEMBL954143

Nc1ccc(-c2cn3c(=O)c(Cc4ccccc4)nc-3c(Cc3ccccc3)[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 2/20 0.43
▸ GAA P10253 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CDC7 O00311 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TNKS O95271 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ PSD A5PKW4 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL19206699 0.97 LTB4R (0.42) LTB4RGAARAB9ACDC7XDH
SCHEMBL492636 0.92 LTB4R (0.41) LTB4RGAARAB9ACDC7ADORA3
SCHEMBL19810320 0.91 LTB4R (0.36) LTB4RGAARAB9AADORA2AALDH1A1
SCHEMBL19206667 0.91 LTB4R (0.39) LTB4RGAARAB9ACDC7XDH
SCHEMBL19206653 0.89 LTB4R (0.40) LTB4RGAARAB9ACDC7XDH
SCHEMBL20841748 0.89 ALKBH3 (0.41) LTB4RGAARAB9ACDC7ADORA3
SCHEMBL954434 0.89 ABCB1 (0.41) LTB4RGAACDC7XDHADORA3
SCHEMBL20841754 0.88 CTSV (0.37) LTB4RGAARAB9ACDC7XDH
SCHEMBL64690 0.88 ABCB1 (0.42) LTB4RGAACDC7XDHADORA3
SCHEMBL12293879 0.88 ABCB1 (0.42) LTB4RGAACDC7XDHADORA3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454261-B1 IMIDAZO[1,2-ALPHA]PYRAZIN-3(7H)-ONE DERIVATIVES BEARING A NEW ELECTRON-RICH STRUCTURE UNIV SIENA (IT) 2014-11-19 — — EP disclosed
US-8546147-B2 Imidazo[1,2-α]pyrazin-3(7H)-one derivatives bearing a new electron-rich structure UNIVERSITA DEGLI STUDI DI SIENA (IT) 2013-10-01 — — US disclosed
US-20120171703-A1 IMIDAZO[1,2-ALPHA]PYRAZIN-3(7H)-ONE DERIVATIVES BEARING A NEW ELECTRON-RICH STRUCTURE UNIVERSITÁ DEGLI STUDI DI SIENA (IT) 2012-07-05 — — US disclosed
EP-2454261-A1 IMIDAZO[1,2-ALPHA]PYRAZIN-3(7H)-ONE DERIVATIVES BEARING A NEW ELECTRON-RICH STRUCTURE Universita Degli Studi di Siena (IT) 2012-05-23 — — EP disclosed
WO-2011007314-A1 IMIDAZO[1,2-α]PYRAZIN-3(7H)-ONE DERIVATIVES BEARING A NEW ELECTRON-RICH STRUCTURE UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2011-01-20 — — WO 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-20120171703-A1 IMIDAZO[1,2-ALPHA]PYRAZIN-3(7H)-ONE DERIVATIVES BEARING A NEW ELECTRON-RICH STRUCTURE GLB1, NDUFV1, IK LTB4R 1693/4885GAA 886/4885RAB9A 478/4885

“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.

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