SCHEMBL18006017

SCHEMBL18006017

N#Cc1[nH]nnc1-c1cccc(-c2ccc(F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
ERBB2 P04626 1/20 0.38
HAO2 Q9NYQ3 1/20 0.38
ADORA1 P30542 5/20 0.38
ADORA2A P29274 3/20 0.38
AGXT P21549 1/20 0.37
FASN P49327 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP30 Q70CQ3 1/20 0.36
ADORA2B P29275 2/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 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
SCHEMBL18006019 0.90 ADORA2B (0.45) GABRG2GABRB3GABRA5GABRA3CYP11B1
SCHEMBL18006043 0.90 GP6 (0.41) GABRG2GABRB3GABRA5GABRA3CYP11B1
SCHEMBL18006086 0.89 TAAR1 (0.44) GABRG2GABRB3GABRA5GABRA3CYP11B1
SCHEMBL18004739 0.88 HSD17B1 (0.46) GABRG2GABRB3GABRA5GABRA3ERBB2
SCHEMBL18004329 0.88 GP6 (0.42) GABRG2GABRB3GABRA5GABRA3CYP11B1
SCHEMBL18006079 0.88 ERBB2 (0.47) CYP11B1CYP11B2ERBB2ADORA1ADORA2A
SCHEMBL18004757 0.88 ADORA2A (0.35) ERBB2ADORA1ADORA2AADORA2B
SCHEMBL18003813 0.87 GABRG2 (0.45) GABRG2GABRB3GABRA5GABRA3CYP11B1
SCHEMBL18006033 0.87 MARK3 (0.42) GABRG2GABRB3GABRA5GABRA3CYP11B1
SCHEMBL17969086 0.86 ERBB2 (0.49) CYP11B1CYP11B2ERBB2ADORA1ADORA2A

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 GABRG2 2334/4885GABRB3 1209/4885GABRA5 2297/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 GABRG2 2334/4885GABRB3 1209/4885GABRA5 2297/4885

“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.