SCHEMBL4026319

SCHEMBL4026319

CNC(=O)C=Cc1ccc(N)c(-c2nnn[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 3/20 0.39
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38
HDAC1 Q13547 5/20 0.37
HDAC2 Q92769 2/20 0.37
CCNC P24863 4/20 0.33
CDK8 P49336 4/20 0.33
CDK19 Q9BWU1 1/20 0.33
PDE7A Q13946 1/20 0.33
HDAC3 O15379 1/20 0.33
KDM1A O60341 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B1 P14061 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B2 P37059 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL4026316 1.00 PELI1 (0.39) PELI1IP6K1IP6K3IP6K2HDAC1
SCHEMBL4021497 0.86 TTR (0.46) IP6K1IP6K3IP6K2
SCHEMBL4021494 0.86 TTR (0.46) IP6K1IP6K3IP6K2
SCHEMBL4029918 0.83 IP6K1 (0.38) IP6K1IP6K2HDAC1HDAC2CCNC
SCHEMBL4029915 0.83 IP6K1 (0.38) IP6K1IP6K2HDAC1HDAC2CCNC
SCHEMBL4022857 0.76 THRB (0.39) HDAC1HDAC2CCNCCDK8HDAC6
SCHEMBL4026733 0.71 CYP4F2 (0.35) HDAC1HDAC2CCNCCDK8HDAC3
SCHEMBL16272297 0.70 MMP1 (0.48) KDM1ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4026769 0.69 MAPT (0.36)
SCHEMBL3279060 0.68 HCAR2 (0.47) HDAC1HDAC2HDAC3CYP1A2CYP3A4

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 PELI1 4418/4885IP6K1 1386/4885IP6K3 1704/4885

“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.