SCHEMBL16450171

SCHEMBL16450171

C#C[C@@H]1CCCC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.67
CTSK P43235 2/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
GAA P10253 2/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX1 P07099 2/20 0.43
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CYP2C9 P11712 1/20 0.38
HSD11B1 P28845 1/20 0.38
CDK9 P50750 1/20 0.38
EPHX2 P34913 1/20 0.36
JAK3 P52333 1/20 0.36
DRD2 P14416 2/20 0.36
HDAC4 P56524 1/20 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
SCHEMBL30397978 1.00 BTK (0.67) BTKCTSKCA1CA2GAA
SCHEMBL16452896 1.00 BTK (0.67) BTKCTSKCA1CA2GAA
SCHEMBL15584182 1.00 BTK (0.67) BTKCTSKCA1CA2GAA
SCHEMBL29753304 1.00 BTK (0.67) BTKCTSKCA1CA2GAA
SCHEMBL15584729 0.91 BTK (0.57) BTKCTSKCA1CA2GAA
SCHEMBL14940831 0.87 BTK (0.64) BTKCTSKCA1CA2GAA
SCHEMBL15295753 0.86 BTK (0.54) BTKCTSKCA1CA2GAA
SCHEMBL22658887 0.86 BTK (0.54) BTKCTSKCA1CA2GAA
SCHEMBL16203528 0.86 BTK (0.54) BTKCTSKCA1CA2GAA
SCHEMBL14737713 0.85 BTK (0.62) BTKCTSKCA1CA2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2840080-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2017-12-06 EP disclosed
US-9145415-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2015-09-29 US disclosed
US-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-02-12 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 (1 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-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FLT3, NPM1, ABL1 BTK 98/4885CTSK 2756/4885CA1 737/4885

“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.