SCHEMBL18004696

SCHEMBL18004696

N#Cc1[nH]nnc1-c1cccc(COc2ccc(Cl)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.43
ALOX5 P09917 1/20 0.43
ALOX5AP P20292 1/20 0.43
MAOB P27338 5/20 0.43
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
ADAMTS5 Q9UNA0 1/20 0.41
CNR1 P21554 2/20 0.41
GRM5 P41594 2/20 0.40
DHFR P00374 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40

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
SCHEMBL18004699 0.91 MRGPRX4 (0.43) MRGPRX4ALOX5ALOX5APMAOBCYP11B1
SCHEMBL18004691 0.90 NR4A2 (0.44) MAOBCYP11B1CYP11B2GRM5DHFR
SCHEMBL18004687 0.89 NR4A2 (0.45) MRGPRX4MAOBCYP11B1CYP4F2CYP4A11
SCHEMBL18004697 0.89 MRGPRX4 (0.46) MRGPRX4MAOBCYP11B1CYP11B2CYP4F2
SCHEMBL18005970 0.88 NR4A2 (0.46) MAOBCYP11B1CYP11B2CNR1
SCHEMBL18006254 0.88 FFAR1 (0.45) MAOBCYP11B1CYP11B2GRM5CYP4F2
SCHEMBL18006249 0.88 RAB9A (0.44) MRGPRX4MAOBCYP11B1CYP11B2CYP4F2
SCHEMBL18006273 0.88 MRGPRX4 (0.46) MRGPRX4CYP11B1CYP11B2CYP4F2CYP4A11
SCHEMBL18004433 0.87 NR4A2 (0.47) MAOBCYP11B1CYP11B2GRM5DHFR
SCHEMBL26070591 0.87 CNR1 (0.39) MRGPRX4CYP11B1CYP11B2CNR1GRM5

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 4062/4885ALOX5 3378/4885ALOX5AP 3601/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MRGPRX4 4062/4885ALOX5 3378/4885ALOX5AP 3601/4885

“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.