SCHEMBL18006262

SCHEMBL18006262

N#Cc1[nH]nnc1-c1cccc(COc2ccc3ccccc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.48
MRGPRX4 Q96LA9 1/20 0.44
MAOB P27338 2/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR4A2 P43354 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
XBP1 P17861 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
ANO1 Q5XXA6 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL18006285 0.91 MAOB (0.39) ALOX5MRGPRX4MAOBNPSR1NR4A2
SCHEMBL18004687 0.88 NR4A2 (0.45) MRGPRX4MAOBNR4A2
SCHEMBL18006309 0.86 MRGPRX4 (0.51) MRGPRX4MAOBNPC1RAB9A
SCHEMBL18005947 0.86 NAAA (0.47) MRGPRX4MAOBLMNANR4A2SMN1; SMN2
SCHEMBL18004697 0.85 MRGPRX4 (0.46) MRGPRX4MAOBMAPTTDP1
SCHEMBL18006256 0.85 MRGPRX4 (0.43) MRGPRX4MAOBGAARAB9A
SCHEMBL18006249 0.85 RAB9A (0.44) MRGPRX4MAOBLMNAMAPTNPC1
SCHEMBL18006254 0.85 FFAR1 (0.45) MAOB
SCHEMBL18004696 0.85 MRGPRX4 (0.43) ALOX5MRGPRX4MAOB
SCHEMBL18006273 0.84 MRGPRX4 (0.46) MRGPRX4

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 ALOX5 3378/4885MRGPRX4 4062/4885MAOB 3664/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ALOX5 3378/4885MRGPRX4 4062/4885MAOB 3664/4885

“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.