SCHEMBL16403170

SCHEMBL16403170

N#Cc1n[nH]nc1-c1cc(N2CCCC2)nc(-c2ccccc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.60
ERBB2 P04626 2/20 0.52
TSHR P16473 6/20 0.48
HSD17B10 Q99714 6/20 0.48
MAPT P10636 4/20 0.48
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 6/20 0.46
HTT P42858 4/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 5/20 0.43
NPC1 O15118 2/20 0.41

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
SCHEMBL16402980 0.99 HPGD (0.62) HPGDERBB2TSHRHSD17B10MAPT
SCHEMBL16402773 0.79 HPGD (0.57) HPGDTSHRHSD17B10MAPTMAPK1
SCHEMBL16403180 0.79 HPGD (0.57) HPGDTSHRHSD17B10MAPTMAPK1
SCHEMBL16403525 0.78 HPGD (0.60) HPGDTSHRHSD17B10MAPTMAPK1
SCHEMBL16402777 0.78 HPGD (0.60) HPGDTSHRHSD17B10MAPTMAPK1
SCHEMBL13309949 0.76 HPGD (1.00) HPGDTSHRHSD17B10MAPTMAPK1
SCHEMBL28321646 0.75 HPGD (0.66) HPGDTSHRHSD17B10MAPTMAPK1
SCHEMBL28320523 0.74 HPGD (0.68) HPGDTSHRHSD17B10MAPTMAPK1
SCHEMBL31438188 0.71 ERBB2 (1.00) HPGDERBB2MAPTALDH1A1HTT
SCHEMBL28320586 0.70 HPGD (0.66) HPGDTSHRHSD17B10MAPTMAPK1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 EP claimed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP claimed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US claimed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US claimed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP claimed
CN-105408325-A Cyanotriazole compounds OTSUKA PHARMA CO LTD 2016-03-16 CN claimed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 WO claimed
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 EP disclosed
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
CN-105408325-A Cyanotriazole compounds OTSUKA PHARMA CO LTD 2016-03-16 CN 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 HPGD 2152/4885ERBB2 4040/4885TSHR 2067/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 HPGD 2152/4885ERBB2 4040/4885TSHR 2067/4885

“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.