SCHEMBL18006283

SCHEMBL18006283

N#Cc1[nH]nnc1-c1cccc(COc2ccc(Cl)c3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.45
GPR84 Q9NQS5 3/20 0.42
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
SLC6A4 P31645 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL18004692 0.87 SMN1; SMN2 (0.44) MRGPRX4CYP11B1CYP11B2MEN1LMNA
SCHEMBL18006265 0.86 MRGPRX4 (0.46) MRGPRX4GABRA1GABRG2GABRB3GABRA5
SCHEMBL18004694 0.85 MRGPRX4 (0.59) MRGPRX4SLC6A4ALDH1A1MAPTHPGD
SCHEMBL18004700 0.85 MRGPRX4 (0.47) MRGPRX4CYP11B1CYP11B2SLC6A4ALDH1A1
SCHEMBL18006282 0.84 F2 (0.38) MRGPRX4CYP11B1CYP11B2GABRA1GABRG2
SCHEMBL18004693 0.84 MRGPRX4 (0.50) MRGPRX4CYP11B1CYP11B2MEN1HPGD
SCHEMBL18006298 0.84 MRGPRX4 (0.41) MRGPRX4CYP11B1CYP11B2
SCHEMBL18004695 0.82 MRGPRX4 (0.40) MRGPRX4CYP11B1CYP11B2GABRG2GABRB3
SCHEMBL18004697 0.82 MRGPRX4 (0.46) MRGPRX4CYP11B1CYP11B2MAPTTDP1
SCHEMBL18005950 0.81 EGFR (0.45) MRGPRX4MAPT

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 4062/4885GPR84 1745/4885CYP11B1 126/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MRGPRX4 4062/4885GPR84 1745/4885CYP11B1 126/4885

“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.