SCHEMBL18006381

SCHEMBL18006381

N#Cc1[nH]nnc1-c1cccc(OCc2ccc(-c3ncccn3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.42
NAAA Q02083 1/20 0.41
SMPD1 P17405 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PPARG P37231 1/20 0.38
KMT2A Q03164 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
CYP11B2 P19099 2/20 0.38
CLK4 Q9HAZ1 2/20 0.37
DYRK1A Q13627 1/20 0.37
F2 P00734 2/20 0.37
ADRB2 P07550 1/20 0.37
IGF1R P08069 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 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
SCHEMBL18006432 0.87 CYP11B1 (0.51) CYP11B1NAAASMPD1KDM4EMEN1
SCHEMBL18005947 0.87 NAAA (0.47) CYP11B1NAAAIGF1R
SCHEMBL18005970 0.86 NR4A2 (0.46) CYP11B1NAAASMPD1KDM4EMEN1
SCHEMBL18006372 0.85 FFAR1 (0.42) CYP11B1NAAASMPD1KDM4EMEN1
SCHEMBL26070984 0.84 IGF1R (0.42) SMPD1KDM4EMEN1ALDH1A1MAPT
SCHEMBL18006363 0.84 NAAA (0.39) CYP11B1NAAASMPD1KDM4EMEN1
SCHEMBL18004812 0.83 SMPD1 (0.47) CYP11B1NAAASMPD1KDM4EMEN1
SCHEMBL18006330 0.83 NAAA (0.40) CYP11B1NAAAKDM4EMEN1ALDH1A1
SCHEMBL18003995 0.82 IGF1R (0.43) CYP11B1NAAAKDM4EMEN1ALDH1A1
SCHEMBL18006408 0.82 CYP4F2 (0.47) 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 CYP11B1 126/4885NAAA 1308/4885SMPD1 3377/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CYP11B1 126/4885NAAA 1308/4885SMPD1 3377/4885

“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.