SCHEMBL4027372

SCHEMBL4027372

CN(CC(=O)O)C(=O)c1ccc(N)c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NSD2 O96028 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL4021525 0.83 HPGD (0.41) PDK1PDK2PDK3PDK4CYP1A2
SCHEMBL10078853 0.83 MEN1 (0.41) PDK1PDK2PDK3PDK4TSHR
SCHEMBL4023874 0.79 HSP90AA1 (0.49) CYP1A2TSHRMAPK1MEN1KMT2A
SCHEMBL12010059 0.79 ALDH1A1 (0.46) PDK1PDK2PDK3PDK4TSHR
SCHEMBL4026182 0.76 CDC25B (0.50) TSHRALDH1A1HPGD
SCHEMBL11107022 0.76 HDAC1 (0.45) MEN1KMT2AITGB3ITGA2BALDH1A1
SCHEMBL24722155 0.75 MAPT (0.44) CYP1A2CYP3A4TSHRMAPK1ITGB3
SCHEMBL3734286 0.75 PRKCI (0.47) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL30468764 0.75 PRKCI (0.47) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL5070972 0.74 MAPK1 (0.43) CYP1A2CYP3A4TSHRMAPK1ADRB2

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
EP-1537075-B1 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2009-07-01 EP disclosed
US-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2006-07-20 US disclosed
EP-1537075-A2 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2005-06-08 EP disclosed
WO-2004022529-A2 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 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-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers KIT, ORAI1, CACNA1C PDK1 2618/4885PDK2 2873/4885PDK3 3797/4885

“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.