SCHEMBL19284323

SCHEMBL19284323

Cn1cc(-c2ncc(C(=O)C(F)(F)F)n2CC2CC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PADI4 Q9UM07 3/20 0.39
▸ GSK3B P49841 11/20 0.38
▸ DYRK1A Q13627 11/20 0.38
▸ WNT1 P04628 7/20 0.38
▸ ROCK2 O75116 1/20 0.36
▸ CLK1 P49759 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ CREBBP Q92793 2/20 0.34
▸ EP300 Q09472 1/20 0.33
▸ CCNK O75909 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK12 Q9NYV4 1/20 0.33

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
SCHEMBL19284356 0.85 PADI4 (0.41) PADI4GSK3BDYRK1AWNT1CLK1
SCHEMBL19301805 0.77 PADI4 (0.39) PADI4GSK3BDYRK1AWNT1
SCHEMBL23566053 0.75 PADI4 (0.38) PADI4GSK3BDYRK1AWNT1
SCHEMBL19301796 0.70 PADI4 (0.42) PADI4
SCHEMBL19284354 0.70 LMNA (0.45) PADI4
SCHEMBL4026878 0.63 NOTUM (0.42) BRD4CDK2
SCHEMBL31567734 0.63 ACHE (0.62) ACHE
SCHEMBL19301627 0.60 KDM4E (0.43) PADI4
SCHEMBL19301734 0.60 KDM4E (0.40) PADI4
SCHEMBL31655610 0.58 PIM1 (0.41) GSK3BDYRK1AWNT1BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11897866-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2024-02-13 — — US disclosed
US-20220081418-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2022-03-17 — — US disclosed
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-12-14 — — US disclosed
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-12-14 — — US disclosed
CN-109071497-B PAD4 heteroaryl inhibitors 帕德罗科治疗公司 2021-10-22 — — CN disclosed
US-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-24 — — US disclosed
US-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-24 — — US disclosed
EP-3419969-A1 HETEROARYL INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2019-01-02 — — EP disclosed
WO-2017147102-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-08-31 — — WO 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 (4 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 1/4885GSK3B 271/4885DYRK1A 1552/4885
US-11897866-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 PADI4 1/4885GSK3B 271/4885DYRK1A 1552/4885
US-20220081418-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 PADI4 1/4885GSK3B 271/4885DYRK1A 1552/4885
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 PADI4 1/4885GSK3B 271/4885DYRK1A 1552/4885

“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.

Send feedback