SCHEMBL16611378

SCHEMBL16611378

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.41
BRD4 O60885 3/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CHEK1 O14757 1/20 0.35
PARP1 P09874 3/20 0.35
RORC P51449 3/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
PTGER1 P34995 1/20 0.33
PRKCI P41743 1/20 0.32
PDE4B Q07343 1/20 0.32
CDC7 O00311 1/20 0.32
NTRK1 P04629 1/20 0.32
HTR5A P47898 1/20 0.32

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
SCHEMBL16726708 0.92 RORC (0.40) MAPK14CHEK1RORC
SCHEMBL16726710 0.89 RORC (0.42) MAPK14CHEK1RORCHTR5A
SCHEMBL16611283 0.88 PTGER1 (0.40) MAPK14BRD4NPC1RAB9ACHEK1
SCHEMBL16610796 0.87 MAPK14 (0.36) MAPK14RORCPDE4BNTRK1
SCHEMBL16611046 0.86 PTGER1 (0.39) MAPK14NPC1RAB9ACHEK1RORC
SCHEMBL16611726 0.85 MAPK14 (0.35) MAPK14PARP1RORC
SCHEMBL16611791 0.84 BRD4 (0.36) MAPK14BRD4NPC1RAB9ACHEK1
SCHEMBL16611072 0.81 MAPK14 (0.39) MAPK14NPC1RAB9ACHEK1PARP1
SCHEMBL16610708 0.79 RORC (0.36) MAPK14RORC
SCHEMBL16610746 0.79 CACNA1H (0.34) PARP1RORCNTRK1

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 MAPK14 52/4885BRD4 24/4885NPC1 4690/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 MAPK14 52/4885BRD4 24/4885NPC1 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.