SCHEMBL16611568

SCHEMBL16611568

NC(=O)c1cc(-c2nn(-c3ccccn3)c3cc[nH]c(=O)c23)cs1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.34
MAP4K4 O95819 2/20 0.34
PIM1 P11309 2/20 0.34
PRKACA P17612 2/20 0.34
FLT3 P36888 2/20 0.34
CLK2 P49760 2/20 0.34
CDK5 Q00535 2/20 0.34
MAP4K2 Q12851 2/20 0.34
ROCK1 Q13464 2/20 0.34
DYRK1A Q13627 2/20 0.34
AURKB Q96GD4 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
PLK4 O00444 1/20 0.34
ROCK2 O75116 1/20 0.34
RPS6KA5 O75582 1/20 0.34
INSR P06213 1/20 0.34
ROS1 P08922 1/20 0.34
PHKG2 P15735 1/20 0.34
RPS6KB1 P23443 1/20 0.34
CSNK1D P48730 1/20 0.34

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
SCHEMBL16610799 0.82 PTGER1 (0.40) PTGER1
SCHEMBL16610766 0.77 RIPK2 (0.40) AURKBCDK2RETKDRIKBKE
SCHEMBL16611256 0.75 PIK3CD (0.37) MAP4K4PRKACACLK2CDK5MAP4K2
SCHEMBL16610880 0.74 JAK1 (0.34) MAP4K4PRKACACLK2CDK5MAP4K2
SCHEMBL16611254 0.74 JAK1 (0.34) MAP4K4PRKACACLK2CDK5MAP4K2
SCHEMBL16611204 0.74 JAK1 (0.31) AURKBCDK2JAK2IKBKETBK1
SCHEMBL16610893 0.74 JAK1 (0.34) MAP4K4PRKACACLK2CDK5MAP4K2
SCHEMBL16611397 0.74 JAK2 (0.31) ROCK2JAK2ABL1KDR
SCHEMBL16610993 0.74 JAK2 (0.31) ROCK2JAK2ABL1KDR
SCHEMBL16611329 0.74 JAK2 (0.31) JAK2ABL1KDRBTK

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 10 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-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
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 AKT1 1534/4885MAP4K4 361/4885PIM1 215/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 AKT1 1534/4885MAP4K4 361/4885PIM1 215/4885

“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.