SCHEMBL4022693

SCHEMBL4022693

CNC(=O)c1ccc(N)c(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.45
HDAC6 Q9UBN7 3/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC2 Q92769 1/20 0.43
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
LRRK2 Q5S007 1/20 0.41
CA2 P00918 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 1/20 0.40
PLK1 P53350 4/20 0.40
MYC P01106 1/20 0.39
WDR5 P61964 1/20 0.39

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
SCHEMBL20633537 0.87 PLAU (0.45) PLAUHDAC6HDAC8HDAC2TSHR
SCHEMBL2662805 0.81 XDH (0.48) PLAUHDAC6HDAC8HDAC2TSHR
SCHEMBL3817006 0.81 VNN1 (0.45) PLAUHDAC6HDAC8HDAC2TSHR
SCHEMBL30468764 0.81 PRKCI (0.47) HDAC2TSHRCYP1A2CYP3A4MAPK1
SCHEMBL3734286 0.81 PRKCI (0.47) HDAC2TSHRCYP1A2CYP3A4MAPK1
SCHEMBL5070972 0.80 MAPK1 (0.43) TSHRCYP1A2CYP3A4MAPK1ADRB2
SCHEMBL3446199 0.80 KDM4E (0.56) MAPK1CA2HPGDHTTSMN1; SMN2
SCHEMBL3821201 0.80 S1PR3 (0.47) PLAUHDAC6HDAC8HDAC2TSHR
SCHEMBL28253118 0.80 S1PR3 (0.46) PLAUHDAC6HDAC8HDAC2TSHR
SCHEMBL4026182 0.79 CDC25B (0.50) TSHRCA2HPGDHTTPOLB

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
CN-115697993-A Pyrimidines as AXL inhibitors 南京正大天晴制药有限公司 2023-02-03 CN disclosed
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 PLAU 2286/4885HDAC6 1688/4885HDAC8 2903/4885

“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.