SCHEMBL18006153

SCHEMBL18006153

N#Cc1[nH]nnc1-c1cccc(-c2cccc(N)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.43
MAOA P21397 1/20 0.41
PDPK1 O15530 1/20 0.40
MECP2 P51608 1/20 0.40
MAP4K4 O95819 2/20 0.39
ENPP2 Q13822 1/20 0.39
MEN1 O00255 1/20 0.38
PSIP1 O75475 1/20 0.38
AXL P30530 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
NTRK1 P04629 2/20 0.38
PIK3CA P42336 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ATAD2 Q6PL18 1/20 0.36
IRAK4 Q9NWZ3 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
SCHEMBL18006168 0.93 MAOA (0.43) AURKAMAOAPDPK1MECP2MAP4K4
SCHEMBL18004757 0.89 ADORA2A (0.35) ADORA2AADORA2BADORA1
SCHEMBL18004329 0.86 GP6 (0.42) CYP11B1CYP11B2ADORA2AADORA2BADORA1
SCHEMBL18006043 0.85 GP6 (0.41) CYP11B1CYP11B2ADORA2AADORA1
SCHEMBL18006152 0.84 CLK4 (0.45) MAP4K4ADORA2AADORA2BADORA1
SCHEMBL18006028 0.82 AR (0.40) CYP11B1CYP11B2ADORA2AADORA1
SCHEMBL18006033 0.82 MARK3 (0.42) MAOAMAP4K4CYP17A1CYP11B1CYP11B2
SCHEMBL18006019 0.82 ADORA2B (0.45) MAP4K4CYP3A4CYP17A1CYP11B1CYP11B2
SCHEMBL18004337 0.81 USP30 (0.41) ADORA2AADORA2BADORA1
SCHEMBL18006139 0.81 ERBB2 (0.38) MEN1ADORA2AADORA2BADORA1

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-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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 (2 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 AURKA 1234/4885MAOA 4309/4885PDPK1 1248/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 AURKA 1234/4885MAOA 4309/4885PDPK1 1248/4885

“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.