SCHEMBL18006372

SCHEMBL18006372

N#Cc1[nH]nnc1-c1cccc(OCc2ccc(-c3nccs3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.40
CYP11B1 P15538 3/20 0.39
SYK P43405 1/20 0.39
NAAA Q02083 1/20 0.39
CTSA P10619 1/20 0.39
ADRB2 P07550 1/20 0.38
PDPK1 O15530 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
EGFR P00533 1/20 0.36
RAF1 P04049 1/20 0.36
CYP3A4 P08684 1/20 0.36
ARAF P10398 1/20 0.36
BRAF P15056 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
FLT3 P36888 1/20 0.36
KCNH2 Q12809 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
SCHEMBL18006418 0.93 FFAR1 (0.48) FFAR1CYP11B1SYKCTSAPDPK1
SCHEMBL18006381 0.85 CYP11B1 (0.42) CYP11B1NAAAADRB2KDM4EMEN1
SCHEMBL18006397 0.85 CTSA (0.36) CYP11B1CTSAKDM4EALDH1A1MAPT
SCHEMBL18006432 0.84 CYP11B1 (0.51) CYP11B1NAAACYP3A4KDM4EMEN1
SCHEMBL18005947 0.84 NAAA (0.47) CYP11B1NAAAIGF1R
SCHEMBL18006360 0.83 MRGPRX4 (0.43) FFAR1CYP11B1NAAACYP11B2ALOX5
SCHEMBL18005970 0.83 NR4A2 (0.46) CYP11B1NAAAKDM4EMEN1ALDH1A1
SCHEMBL18006341 0.81 PARP15 (0.40) CYP11B1
SCHEMBL18006220 0.81 FFAR1 (0.43) FFAR1SIRT2SIRT1SIRT3CARM1
SCHEMBL18006363 0.80 NAAA (0.39) CYP11B1NAAAFLT3KDM4EMEN1

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 FFAR1 1292/4885LOXL2 3866/4885CYP11B1 126/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 FFAR1 1292/4885LOXL2 3866/4885CYP11B1 126/4885

“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.