SCHEMBL16611726

SCHEMBL16611726

NC(=O)Cc1ccc(F)c(-c2nn(-c3c(F)cccc3F)c3cc[nH]c(=O)c23)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.35
PARP1 P09874 3/20 0.33
RORC P51449 4/20 0.33
EPHB4 P54760 1/20 0.31
ALDH1A1 P00352 3/20 0.31
ALDH3A1 P30838 3/20 0.31
TDP2 O95551 1/20 0.30
CACNA1G O43497 2/20 0.30
CACNA1H O95180 2/20 0.30
CACNA1I Q9P0X4 2/20 0.30
F10 P00742 1/20 0.30
DHODH Q02127 1/20 0.30
LCK P06239 1/20 0.30
CSF1R P07333 1/20 0.30
KIT P10721 1/20 0.30
FLT1 P17948 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
FLT3 P36888 1/20 0.30

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
SCHEMBL16610746 0.88 CACNA1H (0.34) PARP1RORCCACNA1GCACNA1HCACNA1I
SCHEMBL16611400 0.87 PTGER1 (0.36) MAPK14EPHB4TDP2F10DHODH
SCHEMBL16611378 0.85 MAPK14 (0.41) MAPK14PARP1RORC
SCHEMBL16726708 0.79 RORC (0.40) MAPK14RORC
SCHEMBL16610796 0.79 MAPK14 (0.36) MAPK14RORCALDH1A1KITFLT3
SCHEMBL16726710 0.77 RORC (0.42) MAPK14RORC
SCHEMBL16611283 0.77 PTGER1 (0.40) MAPK14PARP1
SCHEMBL16611791 0.76 BRD4 (0.36) MAPK14PARP1RORC
SCHEMBL16611046 0.76 PTGER1 (0.39) MAPK14RORCFLT4KDR
SCHEMBL16611643 0.76 DHODH (0.35) CACNA1GCACNA1HCACNA1IDHODH

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 52/4885PARP1 875/4885RORC 538/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 MAPK14 52/4885PARP1 875/4885RORC 538/4885

“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.