SCHEMBL16610796

SCHEMBL16610796

CNC(=O)c1ccc(F)c(-c2nn(-c3c(F)cccc3F)c3cc[nH]c(=O)c23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 1/20 0.36
TAF1 P21675 1/20 0.36
ACSS2 Q9NR19 1/20 0.35
PDE4B Q07343 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
CDK8 P49336 1/20 0.34
MAPKAPK2 P49137 2/20 0.34
MAPK13 O15264 1/20 0.34
RAF1 P04049 1/20 0.34
PDGFRA P16234 1/20 0.34
MAPK12 P53778 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAP4K1 Q92918 1/20 0.34
NTRK1 P04629 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34

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
SCHEMBL16610708 0.92 RORC (0.36) MAPK14JAK2JAK1TAF1ACSS2
SCHEMBL16611106 0.90 RORC (0.39) MAPK14JAK2JAK1TAF1MAPKAPK2
SCHEMBL16611378 0.87 MAPK14 (0.41) MAPK14PDE4BNTRK1RORC
SCHEMBL16611425 0.87 MAP4K1 (0.39) JAK2JAK1TAF1CDK8MAP4K1
SCHEMBL16610947 0.85 MAP4K4 (0.38) JAK2JAK1TAF1ACSS2CDK8
SCHEMBL16610746 0.84 CACNA1H (0.34) JAK2JAK1NTRK1RORC
SCHEMBL16611030 0.82 MAPK14 (0.37) MAPK14PDE4BPIM1PIM2MAPKAPK2
SCHEMBL16726708 0.79 RORC (0.40) MAPK14RORC
SCHEMBL16611101 0.79 JAK2 (0.40) JAK2JAK1TAF1MAP4K1MEN1
SCHEMBL16611726 0.79 MAPK14 (0.35) MAPK14KITFLT3ALDH1A1RORC

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 MAPK14 52/4885JAK2 1/4885JAK1 2/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 MAPK14 52/4885JAK2 1/4885JAK1 2/4885

“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.