SCHEMBL16610889

SCHEMBL16610889

COc1ncc(Br)c2c1c(-c1ccc(S(N)(=O)=O)cc1)nn2C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.39
PIK3CD O00329 9/20 0.39
ABL1 P00519 9/20 0.39
HCK P08631 9/20 0.39
SRC P12931 9/20 0.39
KDR P35968 9/20 0.39
PIK3CA P42336 9/20 0.39
PIK3CB P42338 9/20 0.39
MTOR P42345 9/20 0.39
PIK3CG P48736 9/20 0.39
EPHB4 P54760 9/20 0.39
PRKDC P78527 9/20 0.39
PI4KB Q9UBF8 7/20 0.39
BTK Q06187 3/20 0.37
PTGS2 P35354 3/20 0.37
PTGS1 P23219 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36

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
SCHEMBL16611184 0.82 EGFR (0.42) EGFRPIK3CDABL1HCKSRC
SCHEMBL16610827 0.82 EGFR (0.42) EGFRPIK3CDABL1HCKSRC
SCHEMBL16611123 0.77 BMPR2 (0.44) EGFRABL1SRCKDRPIK3CA
SCHEMBL16611144 0.76 JAK2 (0.40) EGFRPIK3CDABL1HCKSRC
SCHEMBL16611047 0.76 EGFR (0.36) EGFRPIK3CDABL1HCKSRC
SCHEMBL16611289 0.75 CSNK2A1 (0.35) EGFRPIK3CDABL1HCKSRC
SCHEMBL16611538 0.74 MERTK (0.34) EGFRPIK3CDABL1HCKSRC
SCHEMBL16611225 0.74 TGFBR1 (0.42) EGFRPIK3CDABL1HCKSRC
SCHEMBL16610982 0.73 EGFR (0.41) EGFRPIK3CDABL1HCKSRC
SCHEMBL16611217 0.71 LRRK2 (0.45) EGFRPIK3CDABL1HCKSRC

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 EGFR 4532/4885PIK3CD 1337/4885ABL1 1046/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 EGFR 4532/4885PIK3CD 1337/4885ABL1 1046/4885

“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.