SCHEMBL16611774

SCHEMBL16611774

N#Cc1c[nH]c(=O)c2c(-c3ccnn3C3CCCCO3)cn(C3CCCC3)c12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATR Q13535 10/20 0.39
CYP4F2 P78329 4/20 0.37
CYP4A11 Q02928 4/20 0.37
XDH P47989 2/20 0.34
IDH1 O75874 1/20 0.32
PIK3CD O00329 1/20 0.32
RET P07949 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
SCHEMBL18052605 0.79 XDH (0.37) XDH
Hydrochloric Acid SCHEMBL16611599 0.78 XDH (0.37) XDH
SCHEMBL16610802 0.76 SRC (0.41) XDH
SCHEMBL16611419 0.76 XDH (0.39) XDH
SCHEMBL16611598 0.75 XDH (0.38) XDH
SCHEMBL16611405 0.75 BMPR1A (0.38) XDHPIK3CDRET
SCHEMBL16611359 0.75 KDM5A (0.42) XDH
SCHEMBL16611032 0.74 BMPR1A (0.37) XDH
SCHEMBL16610735 0.74 KDM5A (0.42) XDHRET
SCHEMBL16610767 0.73 MTOR (0.36) XDH

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 4 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-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 ATR 1014/4885CYP4F2 4387/4885CYP4A11 1900/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ATR 1014/4885CYP4F2 4387/4885CYP4A11 1900/4885

“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.