SCHEMBL4287650

SCHEMBL4287650

N#CCCNC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1cc(Cl)ccn1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 13/20 0.36
IRAK1 P51617 2/20 0.35
CD274 Q9NZQ7 1/20 0.35
BRAF P15056 1/20 0.35
GPR6 P46095 1/20 0.34
ACKR3 P25106 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4285457 0.85 POLB (0.41) IRAK4CD274NPC1RAB9A
SCHEMBL4291202 0.84 IRAK4 (0.40) IRAK4IRAK1ACKR3NPC1RAB9A
SCHEMBL4289272 0.83 CD274 (0.41) CD274RAB9A
SCHEMBL4285433 0.83 CD274 (0.38) CD274RAB9A
SCHEMBL4279964 0.83 TSHR (0.39) CD274RAB9A
SCHEMBL4288206 0.82 IRAK4 (0.37) IRAK4CD274ACKR3
SCHEMBL4279651 0.82 IRAK4 (0.40) IRAK4IRAK1BRAFNPC1RAB9A
SCHEMBL4288424 0.82 CD274 (0.37) IRAK4CD274NPC1RAB9A
SCHEMBL4288766 0.82 CD274 (0.42) CD274NPC1RAB9A
SCHEMBL4284336 0.81 MAPT (0.44) IRAK4IRAK1NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 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 (1 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP IRAK4 415/4885IRAK1 148/4885CD274 2230/4885

“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.