SCHEMBL16611419

SCHEMBL16611419

N#Cc1c[nH]c(=O)c2c(-c3ccccn3)cn(C3CCCC3)c12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.39
GRIA1 P42261 1/20 0.35
GRIA3 P42263 1/20 0.35
PDE4D Q08499 1/20 0.35
AXL P30530 1/20 0.35
FLT3 P36888 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
ROCK2 O75116 7/20 0.35
ROCK1 Q13464 7/20 0.35
CDC42BPB Q9Y5S2 7/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
UCHL1 P09936 2/20 0.33
ELANE P08246 2/20 0.33
BTK Q06187 1/20 0.33
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL16610802 0.84 SRC (0.41) XDHBTKLRRK2
SCHEMBL16611032 0.82 BMPR1A (0.37) XDHROCK2ROCK1CDC42BPBJAK2
SCHEMBL16611598 0.81 XDH (0.38) XDHAXLFLT3TYRO3MERTK
SCHEMBL18052605 0.80 XDH (0.37) XDHROCK2ROCK1CDC42BPBJAK2
Hydrochloric Acid SCHEMBL16611599 0.80 XDH (0.37) XDHROCK2ROCK1CDC42BPBJAK2
SCHEMBL16611131 0.78 KDM4E (0.37) XDH
SCHEMBL16610767 0.77 MTOR (0.36) XDHROCK2JAK2UCHL1BTK
SCHEMBL16611095 0.77 SQOR (0.36) ROCK2ROCK1CDC42BPBUCHL1ELANE
SCHEMBL16611384 0.77 BRD4 (0.39) PDE4DFLT3TYRO3MERTKJAK2
SCHEMBL16611359 0.76 KDM5A (0.42) XDHJAK2

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 11 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
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 XDH 1789/4885GRIA1 4225/4885GRIA3 4622/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 XDH 1789/4885GRIA1 4225/4885GRIA3 4622/4885

“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.