SCHEMBL18004674

SCHEMBL18004674

N#Cc1[nH]nnc1-c1ccc(-c2cccc(C(F)(F)F)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 5/20 0.39
▸ IRAK4 Q9NWZ3 3/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ CTSS P25774 2/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ IDH1 O75874 4/20 0.35
▸ IDH2 P48735 2/20 0.35
▸ THRB P10828 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34

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
SCHEMBL18004615 0.90 CTSS (0.43) TGFBR1IRAK4NOTUMCTSSSCN9A
SCHEMBL16399530 0.88 CTSS (0.44) TGFBR1IRAK4NOTUMCTSSIDH1
SCHEMBL18004595 0.87 SYK (0.37) IRAK4NOTUMCTSSIDH1IDH2
SCHEMBL18004623 0.87 IRAK4 (0.36) TGFBR1IRAK4NOTUMCTSSIDH1
SCHEMBL18004612 0.84 CTSS (0.39) TGFBR1IRAK4NOTUMCTSSSCN9A
SCHEMBL18004616 0.84 ADORA2A (0.37) IRAK4CTSSSCN9A
SCHEMBL18004627 0.80 IDH1 (0.39) TGFBR1SCN9AIDH1IDH2
SCHEMBL18005109 0.80 USP30 (0.35) TGFBR1NOTUMP2RX7IDH1IDH2
SCHEMBL18004606 0.79 CTSS (0.43) TGFBR1IRAK4CTSSSCN9AIDH1
SCHEMBL16399081 0.79 HDAC4 (0.38) SCN9AIDH1IDH2PIM1PIM3

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 2745/4885IRAK4 2687/4885NOTUM 1379/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 TGFBR1 2745/4885IRAK4 2687/4885NOTUM 1379/4885

“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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