SCHEMBL18006338

SCHEMBL18006338

N#Cc1[nH]nnc1-c1cccc(OCCc2cccs2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.48
CHEK1 O14757 1/20 0.43
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.35
KDM4E B2RXH2 2/20 0.35
ESR1 P03372 1/20 0.35
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP1A2 P05177 7/20 0.34
CYP3A4 P08684 7/20 0.34
CYP2D6 P10635 7/20 0.34
CYP2C19 P33261 7/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPK1 P28482 5/20 0.34
LMNA P02545 5/20 0.34
TSHR P16473 5/20 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
SCHEMBL26070926 0.84 TTK (0.52) TTKCHEK1HPGDHSD17B10KDM4E
SCHEMBL18006339 0.82 HPGD (0.35) TTKHPGDKDM4ECYP11B1CYP11B2
SCHEMBL18006382 0.80 CHEK1 (0.49) CHEK1HPGDHSD17B10KDM4ECYP11B1
SCHEMBL18006387 0.80 KDM4E (0.41) KDM4ECYP11B1CYP11B2ALDH1A1MAPK1
SCHEMBL18004881 0.79 GPR84 (0.39) KDM4ECYP11B1CYP11B2MAPT
SCHEMBL18006354 0.79 SIRT2 (0.40) CYP11B1CYP11B2TP53MAPT
SCHEMBL18006428 0.78 LMNA (0.43) TDP1CYP11B1CYP11B2CYP2D6MAPK1
SCHEMBL18006388 0.78 SIRT2 (0.39) KDM4ECYP11B1CYP11B2ALDH1A1MEN1
SCHEMBL18006355 0.78 MAOB (0.39) HPGDKDM4EPOLBRXFP1ALDH1A1
SCHEMBL18006386 0.78 EGFR (0.39) KDM4ECYP11B1CYP11B2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TTK 1381/4885CHEK1 923/4885HPGD 2152/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 TTK 1381/4885CHEK1 923/4885HPGD 2152/4885

“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.