SCHEMBL16610975

SCHEMBL16610975

NC(=O)c1cccc(-c2nn(-c3c(F)cccc3F)c3c(Cl)c[nH]c(=O)c23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.44
TTK P33981 1/20 0.44
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
RORC P51449 3/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
MAPK14 Q16539 2/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
STK4 Q13043 1/20 0.35
STK3 Q13188 1/20 0.35
LRRK2 Q5S007 1/20 0.35
ERN1 O75460 1/20 0.34
PARP1 P09874 2/20 0.34
PSD A5PKW4 1/20 0.34
PDE10A Q9Y233 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
FYN P06241 1/20 0.33
PGK1 P00558 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
SCHEMBL16610777 0.91 RORC (0.39) MAP2K4TTKRORCKCNJ5KCNJ3
SCHEMBL16726679 0.91 MAP2K4 (0.42) MAP2K4TTKNPC1RAB9ARORC
SCHEMBL16611072 0.88 MAPK14 (0.39) MAP2K4TTKNPC1RAB9ARORC
SCHEMBL16610697 0.88 RORC (0.38) MAP2K4TTKRORCKCNJ5KCNJ3
SCHEMBL16623483 0.88 MAPK14 (0.40) MAP2K4TTKNPC1RAB9AMAPK14
SCHEMBL16611262 0.87 MAP2K4 (0.41) MAP2K4TTKRORCMAPK14MAPK8
SCHEMBL16726684 0.85 KCNJ5 (0.34) RORCKCNJ5KCNJ3
SCHEMBL16611366 0.83 RORC (0.34) RAB9ARORCKCNJ5KCNJ3PARP1
SCHEMBL16611258 0.82 KCNJ5 (0.35) RORCKCNJ5KCNJ3MAPK14
SCHEMBL16611878 0.81 MAP4K4 (0.36) RORCKCNJ5KCNJ3MAPK14

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 MAP2K4 931/4885TTK 2822/4885NPC1 4690/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 MAP2K4 931/4885TTK 2822/4885NPC1 4690/4885

“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.