SCHEMBL16610772

SCHEMBL16610772

NC(=O)Cn1cc(-c2nn(-c3c(F)cccc3F)c3c(Cl)c[nH]c(=O)c23)cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.38
EED O75530 1/20 0.36
PDK2 Q15119 3/20 0.36
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
RORC P51449 2/20 0.33
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
BTK Q06187 1/20 0.31
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR3 P22607 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
MET P08581 1/20 0.30
ADORA2B P29275 1/20 0.30
SCN9A Q15858 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
SCHEMBL16611586 0.89 PIM1 (0.38) PIM1EEDPDK2RORCIKBKE
SCHEMBL16610761 0.82 MAPK8 (0.34) KCNJ5KCNJ3MET
SCHEMBL16610994 0.82 CHRM1 (0.38) PIM1KCNJ5KCNJ3FGFR1FGFR2
SCHEMBL16611258 0.81 KCNJ5 (0.35) KCNJ5KCNJ3RORC
SCHEMBL16726679 0.80 MAP2K4 (0.42) PIM1KCNJ5KCNJ3RORCIKBKE
SCHEMBL16610975 0.79 MAP2K4 (0.44) KCNJ5KCNJ3RORC
SCHEMBL16611354 0.79 PRKAB2 (0.38) KCNJ5KCNJ3RORCBTKADORA2B
SCHEMBL16610777 0.79 RORC (0.39) PIM1KCNJ5KCNJ3RORCIKBKE
SCHEMBL16611324 0.78 KCNJ5 (0.35) KCNJ5KCNJ3
SCHEMBL16610697 0.78 RORC (0.38) KCNJ5KCNJ3RORC

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 PIM1 215/4885EED 1880/4885PDK2 1057/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 PIM1 215/4885EED 1880/4885PDK2 1057/4885

“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.