SCHEMBL4026720

SCHEMBL4026720

Nc1ccc(NC(=O)c2ccccc2)cc1-c1nnn[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.51
JAK1 P23458 1/20 0.51
ACE2 Q9BYF1 1/20 0.48
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
CASP3 P42574 2/20 0.46
PLAU P00749 1/20 0.46
KCNK3 O14649 2/20 0.46
KCNK9 Q9NPC2 1/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KIT P10721 1/20 0.43
FLT3 P36888 1/20 0.43
ADORA2A P29274 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL4025972 0.81 TERT (0.36) NPC1RAB9ACASP3
SCHEMBL4422766 0.78 GPR35 (0.52) NPC1RAB9AKCNK3KCNK9MAPT
SCHEMBL13300574 0.77 ABCG2 (0.52) NPC1RAB9ACASP3MAPTMEN1
SCHEMBL4022857 0.74 THRB (0.39) PLAUSMN1; SMN2CA2
SCHEMBL5476482 0.74 RXFP1 (0.55) RAB9AKCNK3MAPTMEN1KMT2A
SCHEMBL31680549 0.74 MMP2 (0.54) NPC1RAB9AKCNK3KCNK9MAPT
SCHEMBL4409156 0.74 KCNK3 (0.65) JAK2JAK1ACE2NPC1RAB9A
SCHEMBL4030744 0.73 KDM4E (0.47) MAPTSMN1; SMN2CA2CA9
SCHEMBL1308444 0.73 KCNMA1 (0.54) MAPTMEN1KMT2A
SCHEMBL5950540 0.73 RAB9A (0.44) NPC1RAB9AKCNK3KCNK9MAPT

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
CN-100497302-C Diarylurea derivatives and their use as chloride channel blockers NEUROSEARCH AS (DK) 2009-06-10 CN disclosed
US-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2006-07-20 US disclosed
CN-1678573-A Diaryl urea derivatives and their use as chlorine channel blockers NEUROSEARCH AS (DK) 2005-10-05 CN 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 JAK2 521/4885JAK1 3235/4885ACE2 1860/4885

“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.