SCHEMBL16611401

SCHEMBL16611401

NC(=O)c1cc(-c2nn(C3CCCC3)c3c(Br)c[nH]c(=O)c23)cs1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.34
ABL1 P00519 4/20 0.34
EGFR P00533 4/20 0.34
HCK P08631 4/20 0.34
SRC P12931 4/20 0.34
KDR P35968 4/20 0.34
PIK3CA P42336 4/20 0.34
PIK3CB P42338 4/20 0.34
MTOR P42345 4/20 0.34
PIK3CG P48736 4/20 0.34
EPHB4 P54760 4/20 0.34
PRKDC P78527 4/20 0.34
BTK Q06187 3/20 0.32
ESR1 P03372 2/20 0.30

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
SCHEMBL16611222 0.89 ESR1 (0.36) PIK3CDABL1EGFRHCKSRC
SCHEMBL16610926 0.89 BTK (0.33) PIK3CDABL1EGFRHCKSRC
SCHEMBL16611027 0.88 BTK (0.31) PIK3CDABL1EGFRHCKSRC
SCHEMBL16611155 0.86 BTK (0.31) PIK3CDABL1EGFRHCKSRC
SCHEMBL16611256 0.81 PIK3CD (0.37) PIK3CDABL1EGFRHCKSRC
SCHEMBL16611047 0.79 EGFR (0.36) PIK3CDABL1EGFRHCKSRC
SCHEMBL16611520 0.76 PTGER1 (0.32)
SCHEMBL18052600 0.75 PIK3CD (0.37) PIK3CDABL1EGFRHCKSRC
SCHEMBL16611144 0.75 JAK2 (0.40) PIK3CDABL1EGFRHCKSRC
SCHEMBL16611254 0.74 JAK1 (0.34) PIK3CDABL1EGFRHCKSRC

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

“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.