SCHEMBL4029897

SCHEMBL4029897

CN(C)C(=O)c1ccc(-c2ccc(N)c(-c3nnn[nH]3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.44
MAPT P10636 1/20 0.41
CHEK2 O96017 1/20 0.41
ERN1 O75460 3/20 0.40
CLK4 Q9HAZ1 4/20 0.39
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 4/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 1/20 0.39
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
PDK2 Q15119 1/20 0.37
MAP4K1 Q92918 2/20 0.36
USP2 O75604 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 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
SCHEMBL4026769 0.90 MAPT (0.36) LRRK2MAPTCHEK2LMNANCOA1
SCHEMBL4025859 0.85 MKNK1 (0.44) CHEK2ERN1MKNK1MKNK2
SCHEMBL30019952 0.81 LRRK2 (0.42) LRRK2MAPTCHEK2ERN1CLK4
SCHEMBL24690187 0.81 LRRK2 (0.42) LRRK2MAPTCHEK2ERN1CLK4
SCHEMBL4029655 0.81 MAPT (0.50) LRRK2MAPTCHEK2CLK4CYP1A2
SCHEMBL3327827 0.79 KCNH2 (0.44) LRRK2MAPTLMNAALDH1A1HDAC6
SCHEMBL3583617 0.79 SMN1; SMN2 (0.38) LRRK2MAPTCYP3A4LMNATSHR
SCHEMBL6781647 0.78 HPGD (0.46) LRRK2MAPTLMNATSHRALDH1A1
SCHEMBL13404775 0.77 JAK2 (0.41) MAPTCLK4CYP3A4LMNAUSP2
SCHEMBL4024297 0.77 HPGD (0.45) TSHRALDH1A1HPGDMAPK1

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 3 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
WO-2004022525-A1 AMIDE 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 LRRK2 2594/4885MAPT 4510/4885CHEK2 4759/4885

“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.