SCHEMBL3658561

SCHEMBL3658561

O=C(O)Nc1ccc2c(c1)CCNC2

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.57
PLG P00747 1/20 0.57
PLAU P00749 1/20 0.57
PLAT P00750 1/20 0.57
KLKB1 P03952 1/20 0.57
PRSS1 P07477 1/20 0.57
MELK Q14680 2/20 0.57
ITGB3 P05106 5/20 0.54
ITGA2B P08514 4/20 0.54
SLC2A1 P11166 2/20 0.52
ITGA2 P17301 1/20 0.50
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
ASIC3 Q9UHC3 1/20 0.49

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
Hydrochloric Acid SCHEMBL18491400 0.98 ITGB3 (0.56) F2PLGPLAUPLATKLKB1
SCHEMBL1045965 0.94 MELK (0.64) F2PLGPLAUPLATKLKB1
SCHEMBL17797703 0.91 NPC1 (0.50) F2PLGPLAUPLATKLKB1
SCHEMBL12501320 0.86 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7903531 0.86 F2 (0.56) F2PLGPLAUPLATKLKB1
Hydrochloric Acid SCHEMBL31174279 0.84 F2 (0.55) F2PLGPLAUPLATKLKB1
SCHEMBL17797501 0.84 MELK (0.54) MELKITGB3ITGA2BSLC2A1ITGA2
Hydrochloric Acid SCHEMBL1188323 0.84 NPC1 (0.65) F2PLGPLAUPLATKLKB1
SCHEMBL8197860 0.84 MELK (0.68) F2PLGPLAUPLATKLKB1
SCHEMBL3003689 0.83 F2 (0.54) F2PLGPLAUPLATKLKB1

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-20230135635-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME Sanford Burnham Prebys Medical Discovery Institute 2023-05-04 US disclosed
EP-4103182-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME Salk Institute for Biological Studies (US) 2022-12-21 EP disclosed
WO-2021163629-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-08-19 WO disclosed
US-8741890-B2 Substituted amides, manufacturing and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-03 US disclosed
CN-102369195-B Autotaxin inhibitors MERCK PATENT GMBH 2014-04-16 CN disclosed
EP-2220079-A2 SUBSTITUTED AMIDES, MANUFACTURING AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2010-08-25 EP disclosed
WO-2009063028-A2 SUBSTITUTED AMIDES, MANUFACTURING AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 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-20230135635-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME ULK2, ULK1, ULK3 F2 4413/4885PLG 2384/4885PLAU 1393/4885

“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.