SCHEMBL18005441

SCHEMBL18005441

Cc1oc(-c2cccc(C(F)(F)F)c2)nc1-c1nn[nH]c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.44
NOTUM Q6P988 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSS P25774 4/20 0.41
CTSK P43235 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ATR Q13535 1/20 0.38
PTPN1 P18031 1/20 0.38
KCNH2 Q12809 1/20 0.37
IKBKB O14920 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
SCHEMBL18005333 0.88 NOTUM (0.41) MAPTHTTRAB9AALDH1A1LMNA
SCHEMBL18005488 0.88 NOTUM (0.41) MAPTHTTRAB9AALDH1A1LMNA
SCHEMBL18005256 0.88 NOTUM (0.41) MAPTHTTRAB9AALDH1A1LMNA
SCHEMBL18005448 0.87 PTPN1 (0.47) RAB9AALDH1A1LMNATDP1NPC1
SCHEMBL18005596 0.86 RAB9A (0.43) MAPTHTTRAB9AALDH1A1LMNA
SCHEMBL18005263 0.86 NOTUM (0.42) MAPTHTTRAB9AALDH1A1LMNA
SCHEMBL18005318 0.86 CTSK (0.47) MAPTHTTRAB9AALDH1A1LMNA
SCHEMBL18005380 0.85 CTSS (0.40) MAPTHTTRAB9AALDH1A1LMNA
SCHEMBL16399129 0.84 NOTUM (0.40) MAPTHTTRAB9AALDH1A1LMNA
SCHEMBL18005444 0.84 ALOX15 (0.47) MAPTRAB9AALDH1A1LMNANPC1

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 MAPT 2196/4885HTT 1138/4885RAB9A 4775/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MAPT 2196/4885HTT 1138/4885RAB9A 4775/4885

“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.