SCHEMBL1951828

SCHEMBL1951828

CC[C@H](C(=O)N1CCC(C(C)(C)O)CC1)N1Cc2ccnc3[nH]cc(c23)C1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ NAMPT P43490 5/20 0.33
▸ ATR Q13535 1/20 0.33
▸ ATRIP Q8WXE1 1/20 0.33
▸ PIK3CG P48736 5/20 0.32
▸ BTK Q06187 1/20 0.31
▸ ITGB3 P05106 1/20 0.31
▸ ITGB1 P05556 1/20 0.31
▸ ITGAV P06756 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ ITGA5 P08648 1/20 0.31
▸ ITGB5 P18084 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ ROCK1 Q13464 4/20 0.31
▸ CDC42BPB Q9Y5S2 4/20 0.31
▸ ROCK2 O75116 3/20 0.31
▸ HSD11B1 P28845 1/20 0.31

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
SCHEMBL1707152 0.87 POLB (0.38) POLBF10ROCK1CDC42BPBROCK2
SCHEMBL1705916 0.87 POLB (0.38) POLBF10ROCK1CDC42BPBROCK2
SCHEMBL1707278 0.86 POLB (0.38) POLBROCK1CDC42BPBROCK2
SCHEMBL1706372 0.86 ROCK1 (0.36) POLBNAMPTPIK3CGROCK1CDC42BPB
SCHEMBL1951079 0.85 POLB (0.49) POLBROCK1CDC42BPBROCK2
SCHEMBL1949580 0.83 ROCK1 (0.39) POLBNAMPTBTKROCK1CDC42BPB
SCHEMBL1706342 0.83 LRRK2 (0.39) ROCK1CDC42BPBROCK2
SCHEMBL1953337 0.82 ALDH1A1 (0.40) POLBATRATRIPF10ROCK1
SCHEMBL1953628 0.81 RAB9A (0.37) NAMPTBTKROCK1CDC42BPBROCK2
SCHEMBL1952258 0.81 HSD17B10 (0.48) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440558-B1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL (JP) 2015-04-01 — — EP claimed
US-8785429-B2 Dihydropyrrolonaphthyridinone compounds as inhibitors of JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED 2014-07-22 — — US claimed
US-20130184252-A1 DIHYDROPYRROLONAPHTHYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-18 — — US claimed
US-8420816-B2 Dihydropyrrolonaphthyridinone compounds as inhibitors of JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-16 — — US claimed
US-20110136780-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-09 — — US claimed
EP-2440558-B1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL (JP) 2015-04-01 — — EP disclosed
EP-2440558-B1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL (JP) 2015-04-01 — — EP disclosed
US-8785429-B2 Dihydropyrrolonaphthyridinone compounds as inhibitors of JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED 2014-07-22 — — US disclosed
US-20130184252-A1 DIHYDROPYRROLONAPHTHYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-18 — — US disclosed
US-20130184252-A1 DIHYDROPYRROLONAPHTHYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-18 — — US disclosed
US-8420816-B2 Dihydropyrrolonaphthyridinone compounds as inhibitors of JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-16 — — US disclosed
US-8420816-B2 Dihydropyrrolonaphthyridinone compounds as inhibitors of JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-16 — — US disclosed
US-20110136780-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-09 — — US disclosed
US-20110136780-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-09 — — US disclosed
WO-2010144486-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 — — 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-20130184252-A1 DIHYDROPYRROLONAPHTHYRIDINONE COMPOUNDS AS INHIBITORS OF JAK JAK2, JAK1, JAK3 POLB 3291/4885NAMPT 3165/4885ATR 2301/4885
US-20110136780-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK JAK2, JAK1, JAK3 POLB 3336/4885NAMPT 3282/4885ATR 2386/4885

“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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