SCHEMBL7070178

SCHEMBL7070178

CC(C)(C)OC(=O)NCCCCCCCCCCCCNC(=N)N(C#N)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CSNK2A2 P19784 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
LATS1 O95835 2/20 0.39
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL7692290 0.81 KEAP1 (0.38) MEN1KMT2A
SCHEMBL3663531 0.74 MAOA (0.41) CYP3A4TDP1CSNK2A2CSNK2A1CA12
SCHEMBL25122892 0.74 CYP3A4 (0.56) CYP3A4TDP1CSNK2A2CSNK2A1CA12
SCHEMBL6699717 0.73 CHRNB2 (0.41) KMT2A
SCHEMBL4597060 0.73 F2 (0.36)
SCHEMBL6955341 0.72 MAOA (0.46) CYP3A4TDP1CSNK2A2CSNK2A1CA12
SCHEMBL6953013 0.72 MAOA (0.46) CYP3A4TDP1CSNK2A2CSNK2A1CA12
SCHEMBL4700870 0.72 TDP1 (0.53) CYP3A4TDP1CSNK2A2CSNK2A1CA12
SCHEMBL25122811 0.72 CYP3A4 (0.54) CYP3A4TDP1CSNK2A2CSNK2A1CA12
SCHEMBL7262254 0.72 CYP3A4 (0.44) CYP3A4TDP1CSNK2A2CSNK2A1CA12

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
US-6642215-B2 Using cyanoguanidine compound; anticancer agents LEO PHARMA A/S (DK) 2003-11-04 US claimed
US-20030004192-A1 Method of modulating NF-kB activity LEO PHARMA A/S (DK) 2003-01-02 US claimed
US-6346520-B1 ANTITUMOR AND ANTICARCINOGENIC AGENTS; PSORIASIS LEO PHARMACEUTICAL PRODUCTS, LTD. A/S (DK) 2002-02-12 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-20030004192-A1 Method of modulating NF-kB activity IKBKB, NFKBIA, NFKB2 CYP3A4 3181/4885TDP1 1868/4885CSNK2A2 227/4885

“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.