SCHEMBL18006265

SCHEMBL18006265

N#Cc1[nH]nnc1-c1cccc(COc2cccc3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.46
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
DHFR P00374 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
TP53 P04637 2/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
SIRT2 Q8IXJ6 2/20 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
SCHEMBL18006282 0.87 F2 (0.38) MRGPRX4F2GABRA1GABRG2GABRB3
SCHEMBL18006283 0.86 MRGPRX4 (0.45) MRGPRX4MAPTLMNAHPGDALDH1A1
SCHEMBL26070864 0.85 MRGPRX4 (0.44) MRGPRX4MAPTLMNASMN1; SMN2NPC1
SCHEMBL18004692 0.85 SMN1; SMN2 (0.44) MRGPRX4MAPTLMNASMN1; SMN2NPC1
SCHEMBL18006252 0.85 MRGPRX4 (0.39) MRGPRX4MAPTLMNASMN1; SMN2NPC1
SCHEMBL18006258 0.85 MRGPRX4 (0.44) MRGPRX4MAPTLMNASMN1; SMN2HPGD
SCHEMBL18006250 0.85 MRGPRX4 (0.44) MRGPRX4MAPTLMNASMN1; SMN2NPC1
SCHEMBL18004712 0.83 CYP11B1 (0.38) MRGPRX4
SCHEMBL18006262 0.83 ALOX5 (0.48) MRGPRX4MAPTLMNASMN1; SMN2NPC1
SCHEMBL18006263 0.83 FFAR1 (0.41) MRGPRX4MAPTGABRG2GABRB3GABRA5

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 4062/4885MAPT 2196/4885LMNA 4192/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MRGPRX4 4062/4885MAPT 2196/4885LMNA 4192/4885

“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.