SCHEMBL16611418

SCHEMBL16611418

COc1ncc(C#N)c2c1c(-c1csc(C(N)=O)c1)cn2C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.33
SRC P12931 5/20 0.33
ABL1 P00519 4/20 0.33
EGFR P00533 4/20 0.33
ABL2 P42684 3/20 0.33
KDM1A O60341 4/20 0.33
CDK2 P24941 2/20 0.32
IKBKE Q14164 2/20 0.32
AURKB Q96GD4 2/20 0.32
TBK1 Q9UHD2 1/20 0.32
LCK P06239 2/20 0.32
KDR P35968 2/20 0.32
TEK Q02763 2/20 0.32
NUAK1 O60285 2/20 0.32
MARK3 P27448 1/20 0.32
SGK1 O00141 1/20 0.32
PIK3CD O00329 1/20 0.32
CHEK1 O14757 1/20 0.32
MAPK13 O15264 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
SCHEMBL16611574 0.91 RORC (0.36) RORCIRAK4SRCABL1EGFR
SCHEMBL16610806 0.83 EGFR (0.35) RORCIRAK4SRCABL1EGFR
SCHEMBL16611403 0.82 RORC (0.33) RORCSRCABL1EGFRABL2
SCHEMBL16611713 0.80 SRC (0.39) SRCABL1EGFRABL2CDK2
SCHEMBL16610920 0.79 ABL1 (0.35) IRAK4SRCABL1EGFRABL2
SCHEMBL16611350 0.79 SRC (0.42) SRCABL1EGFRABL2LCK
SCHEMBL16610877 0.79 SRC (0.46) SRCABL1EGFRABL2LCK
SCHEMBL16610730 0.79 XDH (0.33)
SCHEMBL16611226 0.79 SRC (0.44) SRCABL1EGFRABL2LCK
SCHEMBL16611505 0.78 SRC (0.39) RORCSRCABL1EGFRABL2

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 RORC 538/4885IRAK4 257/4885SRC 1557/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 RORC 538/4885IRAK4 257/4885SRC 1557/4885

“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.