SCHEMBL18006185

SCHEMBL18006185

N#Cc1[nH]nnc1-c1cc(OCCCCO)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SRC P12931 1/20 0.33
▸ ZAP70 P43403 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ CTSS P25774 4/20 0.32
▸ GRIN1 Q05586 2/20 0.32
▸ GRIN2B Q13224 2/20 0.32
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 1/20 0.31
▸ XPO1 O14980 1/20 0.31
▸ PDK2 Q15119 2/20 0.31
▸ XDH P47989 1/20 0.30
▸ KDM1A O60341 1/20 0.30
▸ MAOB P27338 1/20 0.30

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
SCHEMBL18003536 0.88 PLA2G2A (0.37) CTSKCTSSRXRARXRBRXRG
SCHEMBL26070215 0.88 CTSK (0.38) CTSKCTSSRXRARXRBRXRG
SCHEMBL16398998 0.88 MGAT2 (0.36) CTSKCTSSGRIN1GRIN2BKDM1A
SCHEMBL18003800 0.85 ALDH1A1 (0.35) CTSKCTSSRXRARXRBRXRG
SCHEMBL18004011 0.83 XPO1 (0.34) CTSKCTSSRXRARXRBRXRG
SCHEMBL18004014 0.83 CTSS (0.32) CTSKCTSSXPO1
SCHEMBL18003511 0.83 NAAA (0.39) CTSKKCNH2RXRARXRBRXRG
SCHEMBL18006192 0.83 XPO1 (0.33) CTSKCTSSRXRARXRBRXRG
SCHEMBL18006193 0.82 CHEK1 (0.35) KDM1AMAOB
SCHEMBL18004083 0.82 SOD1 (0.37) CTSKCTSSRXRARXRBRXRG

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 CTSK 2390/4885KCNH2 2427/4885SRC 2323/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CTSK 2390/4885KCNH2 2427/4885SRC 2323/4885

“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.

Send feedback