SCHEMBL16610862

SCHEMBL16610862

N#CC1(NC(=O)c2cc(-c3nn(-c4c(F)cccc4F)c4c(Cl)c[nH]c(=O)c34)cs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.39
AKT1 P31749 4/20 0.34
CNR2 P34972 2/20 0.33
MAPK10 P53779 3/20 0.32
MAPK14 Q16539 3/20 0.32
MAPK8 P45983 2/20 0.32
MAPK9 P45984 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CSNK1E P49674 1/20 0.32
DDR1 Q08345 1/20 0.32
KCNH2 Q12809 1/20 0.32
ANO1 Q5XXA6 1/20 0.32
MAPK1 P28482 3/20 0.32
CNR1 P21554 1/20 0.31
CTSL P07711 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
SCHEMBL16611108 0.86 MAPK1 (0.37) MAPK10MAPK14MAPK8MAPK9CYP3A4
SCHEMBL16611280 0.85 MAPK10 (0.41) AKT1MAPK10MAPK14MAPK8MAPK9
SCHEMBL16726684 0.83 KCNJ5 (0.34)
SCHEMBL16611263 0.80 NTRK1 (0.45) AKT1MAPK10MAPK8MAPK9MAPK1
SCHEMBL16610996 0.79 HTR2C (0.38) MAPK1
SCHEMBL16610917 0.78 KCNJ5 (0.33)
SCHEMBL16611190 0.76 MAPK10 (0.38) AKT1MAPK10MAPK14MAPK8MAPK9
SCHEMBL16611324 0.76 KCNJ5 (0.35)
SCHEMBL16611076 0.73 CYP2A13 (0.39) KCNH2CNR1
SCHEMBL16611878 0.73 MAP4K4 (0.36) MAPK14

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 DGAT2 2758/4885AKT1 1534/4885CNR2 2611/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 DGAT2 2758/4885AKT1 1534/4885CNR2 2611/4885

“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.