SCHEMBL18006339

SCHEMBL18006339

N#Cc1[nH]nnc1-c1cccc(OCCc2ccsc2)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 1/20 0.34
GP6 Q9HCN6 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
GCK P35557 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TTK P33981 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
ROCK2 O75116 1/20 0.31
GRK2 P25098 1/20 0.31

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
SCHEMBL18006341 0.89 PARP15 (0.40) CYP11B1
SCHEMBL26070928 0.85 KDM4E (0.37) HPGDGP6LNPEPGCKKDM4E
SCHEMBL18006387 0.84 KDM4E (0.41) CYP11B1CYP11B2GP6MEN1KMT2A
SCHEMBL18004881 0.83 GPR84 (0.39) CYP11B1CYP11B2GP6KDM4EPPARG
SCHEMBL18006355 0.82 MAOB (0.39) HPGDGP6MEN1KMT2AKDM4E
SCHEMBL18006388 0.82 SIRT2 (0.39) CYP11B1CYP11B2GP6MEN1KMT2A
SCHEMBL18006338 0.82 TTK (0.48) HPGDCYP11B1CYP11B2MEN1CYP1A2
SCHEMBL18004926 0.80 GPR84 (0.37) HPGDCYP11B1CYP11B2GP6MEN1
SCHEMBL18004882 0.79 SIRT2 (0.41) MEN1KMT2AKDM4E
SCHEMBL18006354 0.78 SIRT2 (0.40) CYP11B1CYP11B2

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-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 HPGD 2152/4885CYP11B1 126/4885CYP11B2 227/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 HPGD 2152/4885CYP11B1 126/4885CYP11B2 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.