SCHEMBL16611175

SCHEMBL16611175

N#CCc1cccc(-c2nn(-c3c(F)cccc3F)c3c(Br)c[nH]c(=O)c23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
PIK3CD O00329 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
HCK P08631 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
EPHB4 P54760 1/20 0.37
PRKDC P78527 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
AXL P30530 2/20 0.36
MMP3 P08254 2/20 0.35
ADORA2A P29274 1/20 0.35
IKBKB O14920 1/20 0.33

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
SCHEMBL16611045 0.90 KDM5B (0.33) CDK2GSK3BKDM5BPIK3CDABL1
SCHEMBL16611361 0.84 EPHB4 (0.33) CDK2EPHB4IKBKBCHUKDHODH
SCHEMBL16623473 0.80 CNR1 (0.34) KDM5BPIK3CDABL1EGFRHCK
SCHEMBL16611157 0.79 KCNJ5 (0.34) CDK2GSK3BKDM5BPIK3CDABL1
SCHEMBL16610666 0.78 PIK3CG (0.40) KDM5BPIK3CDABL1EGFRHCK
SCHEMBL16611075 0.77 ROCK2 (0.39)
SCHEMBL16611110 0.76 HTT (0.32)
SCHEMBL16610917 0.73 KCNJ5 (0.33) CDK2GSK3B
SCHEMBL16611520 0.73 PTGER1 (0.32)
SCHEMBL16611152 0.72 PDGFRB (0.41) CDK2GSK3BKDM5BLRRK2

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 CDK2 302/4885GSK3B 3280/4885KDM5B 139/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CDK2 302/4885GSK3B 3280/4885KDM5B 139/4885

“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.