SCHEMBL16611853

SCHEMBL16611853

COC(=O)c1ccc(-c2nn(-c3c(F)cccc3F)c3cc[nH]c(=O)c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MAP2K4 P45985 2/20 0.38
PTGER1 P34995 1/20 0.37
JAK1 P23458 2/20 0.36
TYK2 P29597 1/20 0.36
NPC1 O15118 3/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
TNKS O95271 1/20 0.36
JAK2 O60674 1/20 0.36
MAPK13 O15264 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL16611425 0.88 MAP4K1 (0.39) ALDH1A1SMN1; SMN2KDM4EPTGER1JAK1
SCHEMBL16623593 0.87 RORC (0.45) MAPK1HPGDMAP2K4PTGER1JAK1
SCHEMBL16611046 0.86 PTGER1 (0.39) MAPK1MAP2K4PTGER1TYK2NPC1
SCHEMBL16610786 0.84 PTGER1 (0.38) ALDH1A1PTGER1MAPK14
SCHEMBL16611344 0.82 NPSR1 (0.44) ALDH1A1HPGDKDM4EPTGER1KMT2A
SCHEMBL16610947 0.80 MAP4K4 (0.38) ALDH1A1PTGER1JAK1JAK2KMT2A
SCHEMBL16611818 0.80 ALDH1A1 (0.39) MAPK1ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL16611101 0.80 JAK2 (0.40) ALDH1A1PTGER1JAK1JAK2KMT2A
SCHEMBL16611283 0.79 PTGER1 (0.40) MAP2K4PTGER1NPC1RAB9AMAPK14
SCHEMBL18052588 0.79 PTGER1 (0.35) PTGER1JAK2

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 6 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
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 MAPK1 32/4885ALDH1A1 3511/4885SMN1; SMN2 397/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 MAPK1 32/4885ALDH1A1 3511/4885SMN1; SMN2 397/4885

“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.