SCHEMBL19301734

SCHEMBL19301734

CC(C)c1cnc(-c2ccccc2)n1CC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.40
▸ HSD17B10 Q99714 5/20 0.40
▸ PDE6D O43924 1/20 0.38
▸ PADI4 Q9UM07 4/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ LIMK1 P53667 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ AXL P30530 2/20 0.37
▸ TYRO3 Q06418 2/20 0.37
▸ MERTK Q12866 2/20 0.37
▸ GRIN1 Q05586 2/20 0.37
▸ GRIN2B Q13224 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL19301627 0.83 KDM4E (0.43) KDM4EHSD17B10PADI4ALDH1A1MAPT
SCHEMBL3018678 0.82 KDM4E (0.40) KDM4EHSD17B10PADI4ALDH1A1MAPT
SCHEMBL23566170 0.77 ALDH1A1 (0.40) PADI4ALDH1A1TDP1MERTK
SCHEMBL23566765 0.76 OPRK1 (0.39) ALDH1A1MAPTTDP1NPSR1MEN1
SCHEMBL19301735 0.75 PDE6D (0.41) KDM4EHSD17B10PDE6DALDH1A1MAPT
SCHEMBL19284316 0.75 ALDH1A1 (0.38) KDM4EHSD17B10PADI4ALDH1A1MAPT
SCHEMBL19301796 0.73 PADI4 (0.42) KDM4EHSD17B10PADI4ALDH1A1MAPT
SCHEMBL19284354 0.73 LMNA (0.45) KDM4EPADI4ALDH1A1AXLTYRO3
SCHEMBL19301633 0.73 TDP1 (0.46) KDM4EHSD17B10PDE6DPADI4ALDH1A1
SCHEMBL19301723 0.71 ABCC1 (0.43) KDM4EHSD17B10ALDH1A1MAPTNPSR1

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 KDM4E 117/4885HSD17B10 166/4885PDE6D 3391/4885
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 KDM4E 117/4885HSD17B10 166/4885PDE6D 3391/4885

“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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