SCHEMBL18006282

SCHEMBL18006282

N#Cc1[nH]nnc1-c1cccc(COc2cccc3c(O)cccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.38
MRGPRX4 Q96LA9 5/20 0.35
SRD5A2 P31213 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
IKBKB O14920 1/20 0.33
MAOB P27338 1/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
MET P08581 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
PLAU P00749 2/20 0.33

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
SCHEMBL18006265 0.87 MRGPRX4 (0.46) F2MRGPRX4GABRA1GABRG2GABRB3
SCHEMBL18006283 0.84 MRGPRX4 (0.45) MRGPRX4GABRA1GABRG2GABRB3GABRA5
SCHEMBL18006252 0.81 MRGPRX4 (0.39) MRGPRX4GABRG2GABRB3GABRA5GABRA3
SCHEMBL26070864 0.81 MRGPRX4 (0.44) MRGPRX4GABRG2GABRB3GABRA5GABRA3
SCHEMBL18004692 0.81 SMN1; SMN2 (0.44) MRGPRX4CYP11B1CYP11B2
SCHEMBL18004712 0.81 CYP11B1 (0.38) MRGPRX4CYP11B1CYP11B2
SCHEMBL18006258 0.81 MRGPRX4 (0.44) MRGPRX4GABRG2GABRB3GABRA5GABRA3
SCHEMBL18006250 0.81 MRGPRX4 (0.44) MRGPRX4MAOB
SCHEMBL18004693 0.81 MRGPRX4 (0.50) MRGPRX4CYP11B1CYP11B2
SCHEMBL18004701 0.80 MPO (0.38) MRGPRX4CYP11B1CYP11B2

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 F2 3748/4885MRGPRX4 4062/4885SRD5A2 937/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 F2 3748/4885MRGPRX4 4062/4885SRD5A2 937/4885

“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.