SCHEMBL16623511

SCHEMBL16623511

N=C(c1ccc(C(N)=O)cc1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.38
PARP1 P09874 6/20 0.36
PARP10 Q53GL7 2/20 0.33
MAOB P27338 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP14 Q460N5 1/20 0.32
KAT6A Q92794 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
CDC7 O00311 1/20 0.31
NTRK1 P04629 1/20 0.31
RIPK1 Q13546 1/20 0.30
IKBKB O14920 1/20 0.30
CHUK O15111 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
JAK2 O60674 1/20 0.30
AURKB Q96GD4 1/20 0.30
MAPK1 P28482 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
SCHEMBL16623485 0.91 PARP1 (0.37) TYK2PARP1CHEK1
SCHEMBL16623603 0.90 PARP1 (0.36) TYK2PARP1PIM1JAK2
SCHEMBL16726656 0.88 PTGS2 (0.33) TYK2PARP1
SCHEMBL16623600 0.88 TYK2 (0.34) TYK2PARP1KAT6ACHEK1
SCHEMBL16623558 0.87 PARP1 (0.34) PARP1
SCHEMBL17849239 0.84 HDAC1 (0.46) PARP1JAK2
SCHEMBL16726647 0.84
SCHEMBL17849218 0.83 HDAC6 (0.40) PARP1
SCHEMBL17849229 0.82 F10 (0.35)
SCHEMBL16623596 0.81 HDAC6 (0.34) PARP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 TYK2 467/4885PARP1 875/4885PARP10 542/4885

“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.