SCHEMBL1706223

SCHEMBL1706223

CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.64
CTSL P07711 2/20 0.64
CTSB P07858 1/20 0.64
PREP P48147 1/20 0.54
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
CTSS P25774 1/20 0.48
HRH2 P25021 2/20 0.47
HRH1 P35367 2/20 0.47
ELANE P08246 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
TRPA1 O75762 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL9906163 1.00 CTSK (0.64) CTSKCTSLCTSBPREPKMT2A
SCHEMBL1706224 1.00 CTSK (0.64) CTSKCTSLCTSBPREPKMT2A
SCHEMBL19982034 0.98 CTSK (0.62) CTSKCTSLCTSBPREPKMT2A
SCHEMBL27610791 0.98 CTSK (0.62) CTSKCTSLCTSBPREPKMT2A
SCHEMBL16709994 0.98 CTSK (0.62) CTSKCTSLCTSBPREPKMT2A
SCHEMBL9102129 0.97 CTSK (0.60) CTSKCTSLCTSBPREPKMT2A
SCHEMBL9102125 0.97 CTSK (0.60) CTSKCTSLCTSBPREPKMT2A
SCHEMBL7416847 0.89 CTSK (0.52) CTSKCTSLCTSBPREPKMT2A
SCHEMBL7414029 0.89 CTSK (0.52) CTSKCTSLCTSBPREPKMT2A
SCHEMBL16710005 0.88 CTSK (0.51) CTSKCTSLCTSBPREPKMT2A

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 7 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
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
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
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 CTSK 2726/4885CTSL 2201/4885CTSB 3693/4885
US-20110136780-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK JAK2, JAK1, JAK3 CTSK 2813/4885CTSL 2176/4885CTSB 3633/4885

“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.