SCHEMBL16623520

SCHEMBL16623520

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
TGFBR1 P36897 2/20 0.34
RIPK1 Q13546 1/20 0.33
CHEK1 O14757 2/20 0.33
USP7 Q93009 1/20 0.32
BRD4 O60885 2/20 0.32
BRD9 Q9H8M2 2/20 0.32
PIM1 P11309 2/20 0.32
PIM3 Q86V86 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
MKNK2 Q9HBH9 2/20 0.32
CDC7 O00311 1/20 0.32
PLK4 O00444 1/20 0.32
MAPK13 O15264 1/20 0.32
PDPK1 O15530 1/20 0.32
DAPK3 O43293 1/20 0.32
DYRK3 O43781 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL16610872 0.90 BRD9 (0.35) MAPTIKBKBCHUKCHEK1USP7
SCHEMBL16623452 0.85 BRD9 (0.31) BRD9
SCHEMBL16623441 0.83 JAK2 (0.40) TGFBR1KDRAR
SCHEMBL16611409 0.78 HPGD (0.32) BRD4PRKACAAKT1
SCHEMBL16610895 0.70 QPCT (0.35) CHEK1BRD4ABL1AKT1
SCHEMBL16610916 0.68 PGR (0.35) PRKACAAR
SCHEMBL16611521 0.63 CA12 (0.39) MAPTIKBKBCHUKPLK4CDK2
SCHEMBL15536207 0.63 TYK2 (0.54) MAPTIKBKBCHUKRIPK1CHEK1
SCHEMBL16623471 0.61 CCNE2 (0.39) BRD4PLK4CDK2FLT4KDR
SCHEMBL16623577 0.61 TYMP (0.31) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 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
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 (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-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 MAPT 1208/4885IKBKB 7/4885CHUK 4/4885

“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.