SCHEMBL18005108

SCHEMBL18005108

CCc1sc(-c2cccc(C(F)(F)F)n2)nc1-c1nn[nH]c1C#N

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 2/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ IDH1 O75874 6/20 0.32
▸ IDH2 P48735 3/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP1B1 Q16678 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
SCHEMBL16398799 0.87 TGFBR1 (0.33) TGFBR1NOTUMIDH1IDH2PIM1
SCHEMBL16398878 0.80 ALDH1A1 (0.39) —
SCHEMBL16398984 0.80 CTSK (0.41) —
SCHEMBL16399666 0.80 KCNH2 (0.34) —
SCHEMBL18005047 0.80 NPC1 (0.38) —
SCHEMBL18005109 0.78 USP30 (0.35) TGFBR1NOTUMIDH1IDH2PIM1
SCHEMBL26070276 0.77 ALDH1A1 (0.33) —
SCHEMBL18005120 0.77 GRM5 (0.33) CYP1A1CYP1A2CYP1B1
SCHEMBL18004674 0.76 TGFBR1 (0.39) TGFBR1NOTUMIDH1IDH2PIM1
SCHEMBL18005053 0.76 CTSS (0.44) PIM1PIM3CYP1A2

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 TGFBR1 2745/4885NOTUM 1379/4885IDH1 55/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 TGFBR1 2745/4885NOTUM 1379/4885IDH1 55/4885

“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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