SCHEMBL18005609

SCHEMBL18005609

N#Cc1[nH]nnc1-c1cncc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.41
CYP11B1 P15538 3/20 0.41
CYP1A2 P05177 2/20 0.39
METAP2 P50579 2/20 0.39
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNB3 Q05901 1/20 0.36
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
XDH P47989 1/20 0.33
RXRA P19793 1/20 0.32
RXRG P48443 1/20 0.32
IKBKB O14920 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
KCNH2 Q12809 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
SCHEMBL18004658 0.94 CYP11B2 (0.46) CYP11B2CYP11B1CYP1A2METAP2CTSS
SCHEMBL18005544 0.88 CYP11B1 (0.43) CYP11B2CYP11B1CTSSCTSKGRIN1
SCHEMBL18004000 0.87 CTSS (0.43) CYP11B2CYP11B1CYP1A2METAP2CTSS
SCHEMBL18004642 0.87 CYP11B2 (0.43) CYP11B2CYP11B1CYP1A2METAP2CTSS
SCHEMBL18004659 0.87 CYP11B2 (0.43) CYP11B2CYP11B1CYP1A2METAP2CTSS
SCHEMBL18004678 0.86 CYP11B2 (0.52) CYP11B2CYP11B1CYP1A2METAP2CHRNB1
SCHEMBL18003856 0.85 CTSS (0.38) CYP11B2CYP11B1CYP1A2METAP2CTSS
SCHEMBL18004656 0.85 CYP11B2 (0.49) CYP11B2CYP11B1CYP1A2METAP2CTSS
SCHEMBL18003964 0.85 RXRA (0.41) CYP11B2CYP11B1CTSSCTSKXDH
SCHEMBL18004638 0.85 CYP11B2 (0.41) CYP11B2CYP11B1CYP1A2METAP2CTSS

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 CYP11B2 227/4885CYP11B1 126/4885CYP1A2 1825/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CYP11B2 227/4885CYP11B1 126/4885CYP1A2 1825/4885

“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.