SCHEMBL16611159

SCHEMBL16611159

NC(=O)c1cccc(-c2nn(C3CCCC3)c3cc[nH]c(=O)c23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.42
PDE7A Q13946 1/20 0.42
PIK3CD O00329 3/20 0.40
ABL1 P00519 3/20 0.40
EGFR P00533 3/20 0.40
HCK P08631 3/20 0.40
SRC P12931 3/20 0.40
KDR P35968 3/20 0.40
PIK3CA P42336 3/20 0.40
PIK3CB P42338 3/20 0.40
MTOR P42345 3/20 0.40
PIK3CG P48736 3/20 0.40
EPHB4 P54760 3/20 0.40
PRKDC P78527 3/20 0.40
PI4KB Q9UBF8 2/20 0.40
MAP2K4 P45985 2/20 0.39
TTK P33981 1/20 0.39
JAK2 O60674 5/20 0.38
JAK1 P23458 4/20 0.38
CDK8 P49336 2/20 0.38

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
SCHEMBL16610887 0.88 JAK2 (0.42) PDE4DPDE7APIK3CDABL1EGFR
SCHEMBL16610983 0.86 JAK2 (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL16611850 0.84 JAK2 (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL18052609 0.83 PIK3CD (0.40) PIK3CDABL1EGFRHCKSRC
SCHEMBL16611757 0.83 JAK2 (0.47) PDE4DPIK3CDABL1EGFRHCK
SCHEMBL16610873 0.82 JAK2 (0.45) PDE4DPDE7APIK3CDABL1EGFR
SCHEMBL16611256 0.81 PIK3CD (0.37) PIK3CDABL1EGFRHCKSRC
SCHEMBL16610855 0.81 ITK (0.43) PDE4DPIK3CDABL1EGFRHCK
SCHEMBL16610945 0.81 JAK2 (0.44) EGFRJAK2JAK1BTK
SCHEMBL16610614 0.81 EGFR (0.43) 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 6 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
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 PDE4D 2829/4885PDE7A 3308/4885PIK3CD 1337/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 PDE4D 2829/4885PDE7A 3308/4885PIK3CD 1337/4885

“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.