SCHEMBL18005109

SCHEMBL18005109

N#Cc1[nH]nnc1-c1csc(-c2cccc(C(F)(F)F)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ TGFBR1 P36897 2/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ IDH1 O75874 10/20 0.32
▸ IDH2 P48735 5/20 0.32
▸ P2RX7 Q99572 1/20 0.30

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
SCHEMBL18005022 0.81 TRPA1 (0.39) PIM1
SCHEMBL18005086 0.80 CPT1A (0.36) —
SCHEMBL16399311 0.80 ALDH1A1 (0.48) PIM1
SCHEMBL16398799 0.80 TGFBR1 (0.33) NOTUMTGFBR1PIM1PIM3PIM2
SCHEMBL18004674 0.80 TGFBR1 (0.39) NOTUMTGFBR1PIM1PIM3PIM2
SCHEMBL18004999 0.79 KDM4E (0.43) PIM1
SCHEMBL18005089 0.79 ALDH1A1 (0.39) —
SCHEMBL18005108 0.78 TGFBR1 (0.32) NOTUMTGFBR1PIM1PIM3PIM2
SCHEMBL18004615 0.78 CTSS (0.43) NOTUMTGFBR1PIM1PIM3PIM2
SCHEMBL18005982 0.77 KMT2A (0.47) —

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 USP30 2432/4885NOTUM 1379/4885TGFBR1 2745/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 USP30 2432/4885NOTUM 1379/4885TGFBR1 2745/4885

“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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