SCHEMBL18006137

SCHEMBL18006137

N#Cc1[nH]nnc1-c1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.43
AGXT P21549 1/20 0.41
DHODH Q02127 1/20 0.40
PTPN5 P54829 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CTSS P25774 2/20 0.37
NAAA Q02083 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PFKFB3 Q16875 1/20 0.36
CTSK P43235 1/20 0.36
GSR P00390 1/20 0.36
DGAT1 O75907 2/20 0.36
SOAT1 P35610 1/20 0.36

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
SCHEMBL18003739 0.91 CTSS (0.47) ALDH1A1CTSSNAAAKDM4ECTSK
SCHEMBL16399460 0.90 CTSS (0.46) KIF11ALDH1A1CTSSNAAAKDM4E
SCHEMBL18006037 0.90 CTSS (0.40) ALDH1A1CTSSNAAAKDM4ECTSK
SCHEMBL1250478 0.89 KIF11 (0.50) KIF11DHODHCTSSCTSKGSR
SCHEMBL18003872 0.88 KIF11 (0.44) KIF11DHODHCTSSNAAACTSK
SCHEMBL1250227 0.88 CTSS (0.49) CTSSKDM4ECTSKKCNH2
SCHEMBL18006029 0.87 KIF11 (0.43) KIF11DHODHPTPN5ALDH1A1CTSS
SCHEMBL18006043 0.86 GP6 (0.41) ALDH1A1KDM4E
SCHEMBL18003745 0.86 KIF11 (0.42) KIF11DHODHCTSSCTSKGSR
SCHEMBL18004279 0.86 CTSS (0.45) ALDH1A1CTSSKDM4ECTSKKCNH2

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 KIF11 3245/4885AGXT 28/4885DHODH 812/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 KIF11 3245/4885AGXT 28/4885DHODH 812/4885

“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.