SCHEMBL1706174

SCHEMBL1706174

CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
CTSL P07711 3/20 0.52
CTSK P43235 3/20 0.52
CTSB P07858 2/20 0.52
CTSS P25774 1/20 0.52
HRH2 P25021 2/20 0.51
HRH1 P35367 2/20 0.51
CAPN1 P07384 1/20 0.46
TSHR P16473 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL1706172 1.00 MAPK1 (0.55) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL12535753 1.00 MAPK1 (0.55) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL7352660 0.99 MAPK1 (0.54) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL8307745 0.88 CTSK (0.60) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL22591021 0.88 CTSK (0.60) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL20120151 0.88 MAPK1 (0.53) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL13994323 0.88 MAPK1 (0.53) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL19853291 0.88 CTSK (0.60) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL13994325 0.85 MAPK1 (0.51) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL23845159 0.85 HRH2 (0.48) KMT2ACTSLCTSKCTSBCTSS

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 17 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 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-8785429-B2 Dihydropyrrolonaphthyridinone compounds as inhibitors of JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED 2014-07-22 US 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-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-8420816-B2 Dihydropyrrolonaphthyridinone compounds as inhibitors of JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-16 US disclosed
EP-2440558-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP 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
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
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 MAPK1 321/4885ALDH1A1 802/4885LMNA 4701/4885
US-20110136780-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK JAK2, JAK1, JAK3 MAPK1 296/4885ALDH1A1 681/4885LMNA 4662/4885

“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.