SCHEMBL18004669

SCHEMBL18004669

N#Cc1[nH]nnc1-c1cccc(-c2cncc(F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 15/20 0.47
CYP11B1 P15538 13/20 0.47
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
CLK2 P49760 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL18004685 0.88 CYP11B2 (0.50) CYP11B2CYP11B1PRMT5WDR77
SCHEMBL18006019 0.88 ADORA2B (0.45) CYP11B2CYP11B1GABRG2GABRB3GABRA5
SCHEMBL18004656 0.84 CYP11B2 (0.49) CYP11B2CYP11B1PRMT5WDR77
SCHEMBL18006017 0.84 GABRG2 (0.42) CYP11B2CYP11B1GABRG2GABRB3GABRA5
SCHEMBL18006076 0.84 ATM (0.37) CYP11B2CYP11B1GABRG2GABRB3GABRA5
SCHEMBL18004639 0.84 CYP11B2 (0.40) CYP11B2CYP11B1PRMT5WDR77ADORA2B
SCHEMBL18004757 0.83 ADORA2A (0.35) ADORA2AADORA2BADORA1
SCHEMBL18005544 0.81 CYP11B1 (0.43) CYP11B2CYP11B1
SCHEMBL18006086 0.81 TAAR1 (0.44) CYP11B2CYP11B1GABRG2GABRB3GABRA5
SCHEMBL18004329 0.81 GP6 (0.42) CYP11B2CYP11B1GABRG2GABRB3GABRA5

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 126/4885GABRG2 2334/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CYP11B2 227/4885CYP11B1 126/4885GABRG2 2334/4885

“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.