SCHEMBL16610910

SCHEMBL16610910

Nc1ncc(-c2nn(-c3c(F)cccc3F)c3cc[nH]c(=O)c23)cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 11/20 0.37
FEN1 P39748 10/20 0.37
PARP1 P09874 1/20 0.34
PTGER1 P34995 1/20 0.33
JAK2 O60674 3/20 0.33
JAK3 P52333 1/20 0.33
RPS6KA3 P51812 1/20 0.33
MELK Q14680 1/20 0.33
STK24 Q9Y6E0 1/20 0.33
ADORA2A P29274 1/20 0.32
TNIK Q9UKE5 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 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
SCHEMBL16611257 0.82 ROCK2 (0.38) PTGER1JAK2
SCHEMBL18052588 0.81 PTGER1 (0.35) PARP1PTGER1JAK2JAK3
SCHEMBL16611040 0.80 PTGS1 (0.40) PTGER1JAK2
SCHEMBL16611046 0.80 PTGER1 (0.39) PTGER1RPS6KA3MELK
SCHEMBL16610974 0.80 CNR2 (0.49)
SCHEMBL16726701 0.79 JAK2 (0.38) PTGER1JAK2JAK3PIK3CDPIK3CA
SCHEMBL16611283 0.79 PTGER1 (0.40) PARP1PTGER1
SCHEMBL16623593 0.79 RORC (0.45) PTGER1JAK2
SCHEMBL16611791 0.78 BRD4 (0.36) PARP1PTGER1JAK2JAK3
SCHEMBL16610930 0.78 BRD4 (0.41) PTGER1ADORA2A

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 ALOX5AP 2207/4885FEN1 4801/4885PARP1 875/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ALOX5AP 2207/4885FEN1 4801/4885PARP1 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.