SCHEMBL16610872

SCHEMBL16610872

CCC(COC)n1cc(-c2ccc(C(N)=O)cc2)c2c(=O)[nH]ccc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 2/20 0.35
MAPT P10636 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
CHEK2 O96017 2/20 0.33
MAPKAPK2 P49137 2/20 0.32
CHEK1 O14757 2/20 0.32
FYN P06241 2/20 0.31
CIT O14578 1/20 0.31
CECR2 Q9BXF3 1/20 0.31
USP7 Q93009 1/20 0.30
BRD4 O60885 2/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 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
SCHEMBL16623520 0.90 MAPT (0.36) BRD9MAPTIKBKBCHUKMAPKAPK2
SCHEMBL18052581 0.85
SCHEMBL16610834 0.85 CA1 (0.38) IKBKBCHUKMAPKAPK2
SCHEMBL16610721 0.83 CRHR1 (0.39)
SCHEMBL16611253 0.81 EGLN1 (0.33) BRD4
SCHEMBL16623452 0.76 BRD9 (0.31) BRD9
SCHEMBL16611409 0.75 HPGD (0.32) BRD4
SCHEMBL16623441 0.73 JAK2 (0.40)
SCHEMBL16726645 0.71 BRD4 (0.33) CHEK1BRD4
SCHEMBL16610895 0.71 QPCT (0.35) CHEK1BRD4

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
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 BRD9 283/4885MAPT 1208/4885IKBKB 7/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 BRD9 283/4885MAPT 1208/4885IKBKB 7/4885

“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.