SCHEMBL23566053

SCHEMBL23566053

Cn1cc(-c2ncc(S)n2CC2CC2)cn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PADI4 Q9UM07 2/20 0.38
▸ PIK3CD O00329 3/20 0.36
▸ PIK3R1 P27986 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ FGFR3 P22607 4/20 0.35
▸ FGFR1 P11362 3/20 0.35
▸ FGFR2 P21802 3/20 0.35
▸ KDR P35968 3/20 0.35
▸ FGFR4 P22455 2/20 0.35
▸ IRAK1 P51617 4/20 0.34
▸ WNT1 P04628 3/20 0.34
▸ GSK3B P49841 3/20 0.34
▸ DYRK1A Q13627 3/20 0.34
▸ FLT3 P36888 1/20 0.33
▸ JAK3 P52333 1/20 0.32
▸ RET P07949 1/20 0.32

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
SCHEMBL19301805 0.85 PADI4 (0.39) PADI4PIK3CDPIK3R1GRIN1GRIN2B
SCHEMBL19284356 0.79 PADI4 (0.41) PADI4FGFR3FGFR1FGFR2KDR
SCHEMBL19284323 0.75 PADI4 (0.39) PADI4WNT1GSK3BDYRK1A
SCHEMBL19301734 0.64 KDM4E (0.40) PADI4GRIN1GRIN2B
SCHEMBL19301627 0.64 KDM4E (0.43) PADI4GRIN1GRIN2B
SCHEMBL31655610 0.62 PIM1 (0.41) WNT1GSK3BDYRK1A
SCHEMBL17725307 0.62 BRD4 (0.35) KDRFLT3
SCHEMBL13807047 0.60 LRRK2 (0.45) PIK3CDFGFR3KDRDYRK1AFLT3
SCHEMBL28432597 0.60 MKNK1 (0.49) PIK3CDKDRFLT3
SCHEMBL22045831 0.60 FLT3 (0.63) FLT3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-12-14 — — US disclosed
US-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-24 — — 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-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 PADI4 1/4885PIK3CD 1207/4885PIK3R1 1464/4885
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 PADI4 1/4885PIK3CD 1207/4885PIK3R1 1464/4885

“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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