SCHEMBL16611366

SCHEMBL16611366

CC(C)(C(N)=O)c1ccc(-c2nn(-c3c(F)cccc3F)c3c(Cl)c[nH]c(=O)c23)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.34
TNKS O95271 3/20 0.33
PARP1 P09874 3/20 0.33
TNKS2 Q9H2K2 3/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.32
PTGER1 P34995 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL16726679 0.86 MAP2K4 (0.42) RORCKCNJ5KCNJ3RAB9A
SCHEMBL16611299 0.85 KCNJ5 (0.31) TNKSPARP1TNKS2KCNJ5KCNJ3
SCHEMBL16611258 0.84 KCNJ5 (0.35) RORCKCNJ5KCNJ3NPSR1
SCHEMBL16611001 0.84 MAP4K1 (0.38) RORCKCNJ5KCNJ3MAPTKMT2A
SCHEMBL16610975 0.83 MAP2K4 (0.44) RORCPARP1KCNJ5KCNJ3RAB9A
SCHEMBL16610697 0.82 RORC (0.38) RORCKCNJ5KCNJ3MAPT
SCHEMBL16611354 0.81 PRKAB2 (0.38) RORCKCNJ5KCNJ3MAPTKMT2A
SCHEMBL16610777 0.81 RORC (0.39) RORCPARP1KCNJ5KCNJ3MAPT
SCHEMBL16610718 0.79 NPSR1 (0.42) RORCKCNJ5KCNJ3GAANPSR1
SCHEMBL16726684 0.79 KCNJ5 (0.34) RORCKCNJ5KCNJ3KMT2APTGER1

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 10 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-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 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 538/4885TNKS 2897/4885PARP1 875/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 RORC 538/4885TNKS 2897/4885PARP1 875/4885

“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.