SCHEMBL19301805

SCHEMBL19301805

Cc1cnc(-c2cnn(C)c2)n1CC1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PADI4 Q9UM07 2/20 0.39
▸ WNT1 P04628 4/20 0.38
▸ GSK3B P49841 4/20 0.38
▸ DYRK1A Q13627 4/20 0.38
▸ PIK3CD O00329 3/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ FGFR3 P22607 4/20 0.37
▸ FGFR1 P11362 3/20 0.37
▸ FGFR2 P21802 3/20 0.37
▸ KDR P35968 3/20 0.37
▸ FGFR4 P22455 2/20 0.37
▸ IRAK1 P51617 4/20 0.36
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PI4KA P42356 1/20 0.34
▸ PIK3CG P48736 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
SCHEMBL23566053 0.85 PADI4 (0.38) PADI4WNT1GSK3BDYRK1APIK3CD
SCHEMBL19284356 0.81 PADI4 (0.41) PADI4WNT1GSK3BDYRK1AFGFR3
SCHEMBL19301627 0.78 KDM4E (0.43) PADI4GRIN1GRIN2BNOTUM
SCHEMBL19284323 0.77 PADI4 (0.39) PADI4WNT1GSK3BDYRK1A
SCHEMBL19301806 0.69 OPRK1 (0.46) PADI4
SCHEMBL19301734 0.66 KDM4E (0.40) PADI4GRIN1GRIN2B
SCHEMBL31655610 0.64 PIM1 (0.41) WNT1GSK3BDYRK1APIK3CA
SCHEMBL30628839 0.64 PDE1A (0.41) PIK3CDFGFR1FGFR4PIK3CAPIK3CB
SCHEMBL23204977 0.64 PDE1A (0.44) PIK3CDPIK3CA
SCHEMBL19301634 0.63 PADI4 (0.42) PADI4NOTUM

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 3 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
WO-2017147102-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-08-31 — — WO 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 1/4885WNT1 4121/4885GSK3B 271/4885
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 PADI4 1/4885WNT1 4121/4885GSK3B 271/4885

“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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