SCHEMBL18004995

SCHEMBL18004995

N#Cc1[nH]nnc1-c1cc(C(F)(F)F)ccc1-c1ccsc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 1/20 0.36
▸ IDH2 P48735 12/20 0.36
▸ RET P07949 1/20 0.35
▸ CETP P11597 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.31
▸ KDM1A O60341 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
SCHEMBL18004370 0.86 KIF11 (0.40) NLRP3KDM1A
SCHEMBL18004266 0.84 CTSS (0.36) NLRP3
SCHEMBL18004153 0.83 SMN1; SMN2 (0.41) POLB
SCHEMBL18004367 0.81 CNR1 (0.42) L3MBTL1
SCHEMBL16398471 0.81 CYP2A6 (0.34) TOP1RETPOLBL3MBTL1KDM1A
SCHEMBL18004997 0.80 NPBWR1 (0.39) LRRK2NLRP3
SCHEMBL18004259 0.79 TRPA1 (0.40) KDM1A
SCHEMBL18004147 0.79 PTGDR2 (0.44) L3MBTL1KDM1A
SCHEMBL18003480 0.78 ABCC8 (0.44) NLRP3
SCHEMBL18003772 0.78 AR (0.35) NLRP3

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 TOP1 2566/4885IDH2 26/4885RET 1961/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 TOP1 2566/4885IDH2 26/4885RET 1961/4885

“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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