SCHEMBL4293174

SCHEMBL4293174

N#CCCNC(=O)c1n[nH]cc1NC(=O)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.44
GRM5 P41594 8/20 0.44
HDAC3 O15379 1/20 0.43
GAA P10253 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NAMPT P43490 1/20 0.41
ADORA2A P29274 1/20 0.40
VNN1 O95497 2/20 0.40
ROCK2 O75116 1/20 0.39

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
SCHEMBL4285079 0.88 CREBBP (0.42) GAA
SCHEMBL4288238 0.88 KMT2A (0.47) GRM5GAA
SCHEMBL4283198 0.87 SMN1; SMN2 (0.40) HDAC3
SCHEMBL4287235 0.87 MEN1 (0.52) GAA
SCHEMBL4282897 0.85 ALDH1A1 (0.47) GAARXFP1
SCHEMBL4287409 0.85 CDK14 (0.46)
SCHEMBL4294905 0.81 NPC1 (0.42)
SCHEMBL4288272 0.79 PTK2 (0.41) HDAC3
SCHEMBL4288796 0.79 F10 (0.46) HDAC3GAA
SCHEMBL4287676 0.79 KDM4E (0.42) RXFP1VNN1ROCK2

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 MCHR1 4193/4885IRAK4 415/4885GRM5 3842/4885

“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.