SCHEMBL18006352

SCHEMBL18006352

N#Cc1[nH]nnc1-c1cccc(OCCCN2CCCC2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
PDK2 Q15119 4/20 0.42
KDM4E B2RXH2 1/20 0.40
CTSS P25774 1/20 0.40
LMNA P02545 1/20 0.39
EGFR P00533 1/20 0.39
ITK Q08881 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
CD274 Q9NZQ7 2/20 0.39
FFAR1 O14842 2/20 0.39
HRH3 Q9Y5N1 1/20 0.37
NPC1 O15118 1/20 0.37
ATM Q13315 1/20 0.37
GAK O14976 1/20 0.36
DYRK3 O43781 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
NQO2 P16083 1/20 0.36
CSNK2A2 P19784 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
SCHEMBL18006351 0.95 POLB (0.55) POLBPDK2KDM4ECTSSEGFR
SCHEMBL26070946 0.86 POLB (0.48) POLBPDK2LMNAEGFRITK
SCHEMBL21945823 0.84 HRH3 (0.52) KDM4EHRH3GAKDYRK3JAK2
SCHEMBL26070944 0.81 POLB (0.54) POLBPDK2CTSSEGFRITK
SCHEMBL18006405 0.79 NAAA (0.38) LMNAFFAR1
SCHEMBL18006390 0.74 MGAT2 (0.41) CYP11B1CYP11B2
SCHEMBL18006428 0.74 LMNA (0.43) LMNAATMCYP11B1CYP11B2
SCHEMBL18006326 0.74 NFE2L2 (0.40) CTSSCHEK1CYP11B1CYP11B2
SCHEMBL18006310 0.73 MAOA (0.38) LMNACD274FFAR1
SCHEMBL18006328 0.73 CYP11B1 (0.39) KDM4ECYP11B1CYP11B2

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 POLB 539/4885PDK2 123/4885KDM4E 2681/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 POLB 539/4885PDK2 123/4885KDM4E 2681/4885

“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.