SCHEMBL4029655

SCHEMBL4029655

CN(C)C(=O)c1ccc(-c2cccc(-c3nnn[nH]3)c2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
FYN P06241 2/20 0.39
CHEK2 O96017 1/20 0.38
USP7 Q93009 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 1/20 0.38
ATR Q13535 6/20 0.37
LRRK2 Q5S007 1/20 0.36
CYP2D6 P10635 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 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
SCHEMBL4029897 0.81 LRRK2 (0.44) MAPTNCOA1NCOA3CHEK2USP7
SCHEMBL4026769 0.77 MAPT (0.36) MAPTNCOA1NCOA3FYNCHEK2
SCHEMBL30019952 0.77 LRRK2 (0.42) MAPTNCOA1NCOA3CHEK2ALDH1A1
SCHEMBL24690187 0.77 LRRK2 (0.42) MAPTNCOA1NCOA3CHEK2ALDH1A1
SCHEMBL6716614 0.73 MAPT (0.37) MAPTNCOA1NCOA3FYNCHEK2
SCHEMBL4436864 0.72 MKNK1 (0.47) MAPTFYNCHEK2ALDH1A1CYP3A4
SCHEMBL5464359 0.72 KDR (0.47) MAPTFYNCHEK2CYP3A4KDM4E
SCHEMBL5485083 0.71 NPC1 (0.44) ALDH1A1KDM4EHPGDKMT2A
SCHEMBL9389770 0.69 MAPT (0.54) MAPTALDH1A1CYP3A4CYP1A2KDM4E
SCHEMBL5468764 0.69 CYP3A4 (0.39) MAPTALDH1A1CYP3A4MEN1TP53

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 2 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

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 MAPT 4510/4885NCOA1 2848/4885NCOA3 2767/4885

“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.