SCHEMBL18004668

SCHEMBL18004668

N#Cc1[nH]nnc1-c1ccc(-c2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.39
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ MAOB P27338 3/20 0.38
▸ KDM1A O60341 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ GSR P00390 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ METAP2 P50579 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ SMO Q99835 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33

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
SCHEMBL18004610 0.90 KDM1A (0.38) KIF11NPSR1CTSSCTSKMAOB
SCHEMBL18004633 0.88 CTSS (0.39) NPSR1CTSSCTSKMAOBKDM1A
SCHEMBL18004626 0.87 GRM5 (0.36) KIF11NPSR1CTSSCTSKKDM4E
SCHEMBL16399947 0.87 NPSR1 (0.37) KIF11NPSR1CTSSCTSKKDM1A
SCHEMBL16398992 0.86 NPSR1 (0.36) KIF11NPSR1CTSSCTSKKDM1A
SCHEMBL18004600 0.85 CTSS (0.36) KIF11NPSR1CTSSCTSKMAOB
SCHEMBL1250478 0.85 KIF11 (0.50) KIF11CTSSCTSKMAOBKDM1A
SCHEMBL18004618 0.84 KDM1A (0.43) NPSR1CTSSCTSKMAOBKDM1A
SCHEMBL18004625 0.84 METAP2 (0.34) KIF11NPSR1CTSSCTSKMAOB
SCHEMBL18004596 0.84 TRPA1 (0.39) KIF11NPSR1CTSSCTSKMAOB

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 KIF11 3245/4885NPSR1 3939/4885CTSS 2273/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 KIF11 3245/4885NPSR1 3939/4885CTSS 2273/4885

“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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