SCHEMBL18004697

SCHEMBL18004697

N#Cc1[nH]nnc1-c1cccc(COc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.46
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 2/20 0.39
FFAR1 O14842 3/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 5/20 0.38
MAOA P21397 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37

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
SCHEMBL18006320 0.90 MRGPRX4 (0.41) MRGPRX4CYP11B1CYP11B2FFAR1MAOB
SCHEMBL18004696 0.89 MRGPRX4 (0.43) MRGPRX4CYP11B1CYP11B2MAOBCYP4F2
SCHEMBL18004691 0.88 NR4A2 (0.44) CYP11B1CYP11B2POLBMAPTMAOB
SCHEMBL18004699 0.86 MRGPRX4 (0.43) MRGPRX4CYP11B1CYP11B2MAOBCYP4F2
SCHEMBL18006262 0.85 ALOX5 (0.48) MRGPRX4MAPTTDP1MAOB
SCHEMBL18004433 0.85 NR4A2 (0.47) CYP11B1CYP11B2MAOBMAOA
SCHEMBL18004695 0.85 MRGPRX4 (0.40) MRGPRX4CYP11B1CYP11B2FFAR1L3MBTL1
SCHEMBL18004687 0.85 NR4A2 (0.45) MRGPRX4CYP11B1FFAR1MAOBCYP4F2
SCHEMBL18006256 0.84 MRGPRX4 (0.43) MRGPRX4CYP11B1FFAR1MAOBCYP4F2
SCHEMBL18006254 0.84 FFAR1 (0.45) CYP11B1CYP11B2FFAR1MAOBCYP4F2

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 MRGPRX4 4062/4885CYP11B1 126/4885CYP11B2 227/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MRGPRX4 4062/4885CYP11B1 126/4885CYP11B2 227/4885

“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.