SCHEMBL16611157

SCHEMBL16611157

N#CCc1ccc(-c2nn(-c3c(F)cccc3F)c3c(Cl)c[nH]c(=O)c23)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
CNR1 P21554 3/20 0.33
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
EPHB4 P54760 1/20 0.32
PRKDC P78527 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
RORC P51449 1/20 0.32
CXCR2 P25025 1/20 0.31
CDK2 P24941 1/20 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
SCHEMBL16611045 0.88 KDM5B (0.33) PIK3CDABL1EGFRHCKSRC
SCHEMBL16611284 0.86 ADORA2A (0.35) KCNJ5KCNJ3RORCCXCR2GSK3B
SCHEMBL16610917 0.84 KCNJ5 (0.33) KCNJ5KCNJ3CDK2GSK3B
SCHEMBL16610908 0.83 DCTPP1 (0.35) KCNJ5KCNJ3RORC
SCHEMBL16611258 0.83 KCNJ5 (0.35) KCNJ5KCNJ3CNR1EPHB4RORC
SCHEMBL16611299 0.83 KCNJ5 (0.31) KCNJ5KCNJ3
SCHEMBL16611245 0.82 GRIA2 (0.39) SRCRORCGSK3B
SCHEMBL16610943 0.82 CYP2A13 (0.42) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16611740 0.82 LTA4H (0.37) CNR1
SCHEMBL16611374 0.81 JAK1 (0.36) 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 KCNJ5 2242/4885KCNJ3 2857/4885CNR1 3168/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 KCNJ5 2242/4885KCNJ3 2857/4885CNR1 3168/4885

“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.