SCHEMBL16610697

SCHEMBL16610697

NC(=O)c1ccc(-c2nn(-c3c(F)cccc3F)c3c(Cl)c[nH]c(=O)c23)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.38
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
NTRK1 P04629 5/20 0.35
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
CASP1 P29466 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
MTOR P42345 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
ACVR1 Q04771 1/20 0.33
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL16610975 0.88 MAP2K4 (0.44) RORCKCNJ5KCNJ3PDE10ATTK
SCHEMBL16611098 0.88 NTRK1 (0.38) RORCNTRK1PIK3CAMTORPDE2A
SCHEMBL16726679 0.87 MAP2K4 (0.42) RORCKCNJ5KCNJ3NTRK1ABL1
SCHEMBL16610777 0.85 RORC (0.39) RORCKCNJ5KCNJ3ABL1KDR
SCHEMBL16726684 0.83 KCNJ5 (0.34) RORCKCNJ5KCNJ3SRCKDR
SCHEMBL16611258 0.83 KCNJ5 (0.35) RORCKCNJ5KCNJ3EPHB4
SCHEMBL16611366 0.82 RORC (0.34) RORCKCNJ5KCNJ3MAPT
SCHEMBL16611072 0.81 MAPK14 (0.39) RORCKCNJ5KCNJ3ABL1KDR
SCHEMBL16611354 0.80 PRKAB2 (0.38) RORCKCNJ5KCNJ3MAPT
SCHEMBL16611324 0.79 KCNJ5 (0.35) KCNJ5KCNJ3EPHB4MAPT

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 8 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
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 (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 RORC 538/4885KCNJ5 2242/4885KCNJ3 2857/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 RORC 538/4885KCNJ5 2242/4885KCNJ3 2857/4885

“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.