SCHEMBL8989205

SCHEMBL8989205

Cc1c(C=O)nc(-c2ccc(C(F)(F)F)cc2)n1C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSS P25774 2/20 0.40
SIGMAR1 Q99720 1/20 0.39
PTGS2 P35354 1/20 0.39
GRM5 P41594 1/20 0.38
KDM1A O60341 1/20 0.37
BACE1 P56817 1/20 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
SCHEMBL18003544 0.83 ALOX5 (0.42) KDM4EALDH1A1MEN1LMNAMAPT
SCHEMBL8989145 0.81 KDM4E (0.44) TDP2KDM4EALDH1A1MEN1LMNA
SCHEMBL8989227 0.81 ALDH1A1 (0.41) TDP2KDM4EALDH1A1MEN1LMNA
SCHEMBL18003191 0.80 ALDH1A1 (0.54) TDP2KDM4EALDH1A1MEN1LMNA
SCHEMBL9143201 0.79 SIGMAR1 (0.43) TDP2KDM4EALDH1A1LMNACTSS
SCHEMBL8989194 0.79 ADORA2B (0.44) TDP2KDM4EALDH1A1MEN1LMNA
SCHEMBL18003589 0.79 KDM4E (0.42) TDP2KDM4EALDH1A1SIGMAR1PTGS2
SCHEMBL8989105 0.77 KDM4E (0.41) TDP2KDM4EALDH1A1MEN1LMNA
SCHEMBL8989243 0.77 PARP1 (0.44) KDM4EALDH1A1MEN1LMNAMAPT
SCHEMBL6652679 0.76 CFTR (0.52) KDM4EALDH1A1MEN1LMNAMAPT

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 6 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
US-5545645-A Heterocyclic derivatives in the treatment of ischaemia and related diseases SYNTEX PHARMACEUTICALS, LIMITED (GB) 1996-08-13 US disclosed
US-5428037-A Piperazine derivatives; calcium and sodium channel antagonists SYNTEX PHARMACEUTICALS, LTD. (GB) 1995-06-27 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 TDP2 2933/4885KDM4E 2681/4885ALDH1A1 1611/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 TDP2 2933/4885KDM4E 2681/4885ALDH1A1 1611/4885

“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.