SCHEMBL4538791

SCHEMBL4538791

O=C1C=CC(=O)c2nnccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100A4 P26447 2/20 0.52
▸ CDC25B P30305 2/20 0.52
▸ IDO1 P14902 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ SNCA P37840 1/20 0.39
▸ MAP2K1 Q02750 1/20 0.39
▸ PIN1 Q13526 1/20 0.39
▸ EHMT2 Q96KQ7 1/20 0.39
▸ NSD1 Q96L73 1/20 0.39
▸ EHMT1 Q9H9B1 1/20 0.39
▸ PLK4 O00444 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ GSK3A P49840 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
SCHEMBL29747118 0.68 S100A4 (1.00) S100A4CDC25BIDO1MAOAMAOB
SCHEMBL4066187 0.67 TDP1 (0.42) PLK4AURKACHEK2LCKCDK2
SCHEMBL5041817 0.65 CTSL (0.53) CDC25BMAOAMAOB
SCHEMBL6607479 0.65 MAOB (0.50) S100A4CDC25BMAOAMAOB
SCHEMBL6575939 0.65 PTPRC (0.59) S100A4CDC25BMAOAMAOB
SCHEMBL11358184 0.62 S100A4 (0.59) S100A4CDC25BIDO1MAOAMAOB
SCHEMBL28289103 0.62 S100A4 (0.59) S100A4CDC25BIDO1MAOAMAOB
SCHEMBL6186385 0.62 MAOA (0.52) S100A4CDC25BIDO1MAOAMAOB
SCHEMBL31511817 0.61 S100A4 (0.54) S100A4CDC25BIDO1MAOAMAOB
SCHEMBL4536691 0.61 CDC25B (0.46) S100A4CDC25BIDO1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148437-A1 Novel Ezrin Inhibitors and Methods of Making and Using UNITED STATES GOVERNMENT 2018-05-31 — — US disclosed
US-9522908-B2 Ezrin inhibitors and methods of making and using Gerogetown University (US) 2016-12-20 — — US disclosed
US-20140135325-A1 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING GEORGETOWN UNIVERSITY (US) 2014-05-15 — — US disclosed
WO-2012064396-A9 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING GEORGETOWN UNIVERSITY (US) 2012-07-05 — — WO disclosed
WO-2012064396-A2 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING GEORGETOWN UNIVERSITY (US) 2012-05-18 — — WO disclosed
EP-0866692-A1 USE OF BICYCLIC MONO- OR DIKETONE DERIVATIVES, RESULTING COMPOUNDS, AND USE THEREOF AS A DRUG FOR TREATING INFLAMMATION, MIGRAINE AND SHOCK LABORATOIRE INNOTHERA Société Anonyme (FR) 1998-09-30 — — EP disclosed
WO-1997021432-A1 USE OF BICYCLIC MONO- OR DIKETONE DERIVATIVES, RESULTING COMPOUNDS, AND USE THEREOF AS A DRUG FOR TREATING INFLAMMATION, MIGRAINE AND SHOCK LABORATOIRE INNOTHERA, S.A. (FR) 1997-06-19 — — 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 (2 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-20180148437-A1 Novel Ezrin Inhibitors and Methods of Making and Using EZR, CDC42, ERMP1 S100A4 1775/4885CDC25B 98/4885IDO1 4717/4885
US-20140135325-A1 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING EZR, NHERF1, ERMP1 S100A4 1855/4885CDC25B 94/4885IDO1 4698/4885

“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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