SCHEMBL18006221

SCHEMBL18006221

N#Cc1[nH]nnc1-c1cc(OCc2csc(-c3cccs3)n2)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.40
MAPT P10636 2/20 0.40
SLC6A4 P31645 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 4/20 0.32
NPC1 O15118 4/20 0.32
SLC6A3 Q01959 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX5 P09917 1/20 0.32
PSEN1 P49768 1/20 0.32
ADORA1 P30542 1/20 0.32
PKM P14618 2/20 0.32
HSD17B10 Q99714 1/20 0.32
IGF1R P08069 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31

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
SCHEMBL18006195 0.90 PPARG (0.42) KDM4EMAPTPPARGPPARALMNA
SCHEMBL26070846 0.86 MAPT (0.40) MAPTPPARALMNA
SCHEMBL18006188 0.85 RHOC (0.43) PPARGPPARALMNATP53SLC6A3
SCHEMBL18006216 0.83 FFAR1 (0.41) LMNAPKMHSD17B10
SCHEMBL18006178 0.83 CTSS (0.33) MAPTSLC6A4PPARGPPARA
SCHEMBL18006208 0.83 MCL1 (0.33) MAPTPPARALMNAADORA1PKM
SCHEMBL18006209 0.83 ALDH1A1 (0.34) KDM4EPPARGLMNAALDH1A1PKM
SCHEMBL18006348 0.82 PPARA (0.49) KDM4EMAPTPPARGPPARALMNA
SCHEMBL18006202 0.81 LMNA (0.31) LMNAPKMHSD17B10
SCHEMBL18004611 0.79 SMN1; SMN2 (0.38) KDM4EMAPTLMNASMN1; SMN2TP53

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 KDM4E 2681/4885MAPT 2196/4885SLC6A4 3181/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 KDM4E 2681/4885MAPT 2196/4885SLC6A4 3181/4885

“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.