SCHEMBL1952880

SCHEMBL1952880

CCC1(N2Cc3c[nH]c4nccc(c34)C2=O)CCN(C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 11/20 0.36
▸ JAK2 O60674 3/20 0.33
▸ LRRK2 Q5S007 1/20 0.31
▸ ROCK2 O75116 3/20 0.31
▸ ROCK1 Q13464 3/20 0.31
▸ CDC42BPB Q9Y5S2 3/20 0.31
▸ HTR2A P28223 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CDC42BPA Q5VT25 1/20 0.30

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
SCHEMBL1706287 0.91 JAK1 (0.35) JAK1JAK2LRRK2ROCK2ROCK1
SCHEMBL1950678 0.88 JAK1 (0.47) JAK1
SCHEMBL1705696 0.87 NAMPT (0.38) JAK1JAK2LRRK2ROCK2ROCK1
SCHEMBL16592872 0.87 JAK2 (0.35) JAK1JAK2ROCK2ROCK1CDC42BPB
SCHEMBL1706643 0.85 JAK2 (0.36) JAK2LRRK2ROCK2ROCK1CDC42BPB
SCHEMBL16592905 0.82 JAK1 (0.38) JAK1
SCHEMBL1706215 0.81 ROCK1 (0.37) JAK1JAK2ROCK2ROCK1CDC42BPB
SCHEMBL1952848 0.76 JAK1 (0.47) JAK1JAK2
SCHEMBL1952365 0.76 NAMPT (0.39) JAK1JAK2LRRK2ROCK2ROCK1
SCHEMBL1951024 0.74 PARP1 (0.38) JAK2ROCK2ROCK1CDC42BPB

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 JAK1 2/4885JAK2 1/4885LRRK2 418/4885
US-20110136780-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK JAK2, JAK1, JAK3 JAK1 2/4885JAK2 1/4885LRRK2 374/4885

“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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