SCHEMBL1951024

SCHEMBL1951024

O=C(O)N1CCC(N2Cc3c[nH]c4nccc(c34)C2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ IDH1 O75874 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ CDC42BPB Q9Y5S2 3/20 0.36
▸ ROCK2 O75116 2/20 0.36
▸ ROCK1 Q13464 2/20 0.36
▸ CALCRL Q16602 2/20 0.35
▸ AOC3 Q16853 1/20 0.35
▸ RAMP1 O60894 1/20 0.35
▸ SCN1A P35498 3/20 0.35
▸ SCN5A Q14524 3/20 0.35
▸ SCN9A Q15858 3/20 0.35
▸ PARP2 Q9UGN5 3/20 0.35

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
SCHEMBL16592857 0.88 CDC42BPB (0.39) KDM5ACDC42BPBROCK2ROCK1
SCHEMBL1953584 0.85 JAK1 (0.44) JAK2CDC42BPBROCK2ROCK1
SCHEMBL1953472 0.85 BTK (0.46) JAK2
SCHEMBL1706193 0.83 PARP1 (0.43) PARP1IDH1JAK2CDC42BPBROCK2
SCHEMBL16592839 0.80 JAK2 (0.35) PARP1KDM5AIDH1JAK2CDC42BPB
SCHEMBL1950720 0.79 BTK (0.35) PARP1JAK2CDC42BPBROCK2ROCK1
SCHEMBL1706274 0.77 PARP1 (0.47) PARP1JAK2CDC42BPBROCK2ROCK1
SCHEMBL16592872 0.77 JAK2 (0.35) JAK2CDC42BPBROCK2ROCK1
SCHEMBL1707100 0.76 FPR2 (0.44) JAK2
SCHEMBL1952880 0.74 JAK1 (0.36) JAK2CDC42BPBROCK2ROCK1

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 6 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
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-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

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 PARP1 2388/4885KDM5A 1659/4885IDH1 1263/4885
US-20110136780-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK JAK2, JAK1, JAK3 PARP1 2215/4885KDM5A 1632/4885IDH1 920/4885

“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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