SCHEMBL18004152

SCHEMBL18004152

N#Cc1[nH]nnc1-c1cc(C(F)(F)F)ccc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.42
▸ ERBB2 P04626 1/20 0.39
▸ GRM2 Q14416 1/20 0.38
▸ PTGDR2 Q9Y5Y4 3/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ FFAR4 Q5NUL3 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ AR P10275 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ GSTP1 P09211 1/20 0.35

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
SCHEMBL18004153 0.90 SMN1; SMN2 (0.41) PTGDR2SMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL18004370 0.88 KIF11 (0.40) PTGDR2SMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL18004259 0.87 TRPA1 (0.40) PTGDR2SCN9AFFAR4KDM1AMAOB
SCHEMBL18004147 0.87 PTGDR2 (0.44) PTGDR2SMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL18004369 0.85 ERBB2 (0.41) ERBB2FFAR4SMN1; SMN2ALDH1A1MAPT
SCHEMBL18004367 0.83 CNR1 (0.42) GRM2PTGDR2FFAR4ALDH1A1L3MBTL1
SCHEMBL18004454 0.82 ADORA2A (0.43) BTKERBB2SCN9ASMN1; SMN2ALDH1A1
SCHEMBL18004263 0.82 USP7 (0.44) SCN9ASMN1; SMN2MAPTTDP1NPSR1
SCHEMBL18004266 0.82 CTSS (0.36) PTGDR2CYP1A2ALOX5AP
SCHEMBL17969107 0.80 CYP1A2 (0.40) BTKERBB2GRM2SMN1; SMN2MAPT

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 BTK 1605/4885ERBB2 4040/4885GRM2 1163/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 BTK 1605/4885ERBB2 4040/4885GRM2 1163/4885

“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.

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