SCHEMBL4283338

SCHEMBL4283338

O=C(Nc1c[nH]nc1C(=O)NCCNc1ccccn1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL4286948 0.89 KMT2A (0.50) KMT2ASMN1; SMN2MEN1ALDH1A1HDAC3
SCHEMBL4279961 0.86 KMT2A (0.51) KMT2ASMN1; SMN2MEN1ALDH1A1HDAC3
SCHEMBL4279804 0.84 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2MEN1ALDH1A1HDAC3
SCHEMBL4293142 0.84 ALDH1A1 (0.51) KMT2ASMN1; SMN2ALDH1A1HDAC3HDAC4
SCHEMBL4281447 0.83 TSHR (0.51) KMT2ASMN1; SMN2MEN1ALDH1A1EPHX2
SCHEMBL4281575 0.83 RAB9A (0.48) KMT2ASMN1; SMN2MEN1ALDH1A1EPHX2
SCHEMBL4287145 0.82 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2MEN1ALDH1A1HDAC3
SCHEMBL4293196 0.82 KMT2A (0.44) KMT2ASMN1; SMN2MEN1ALDH1A1HDAC3
SCHEMBL4287623 0.82 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2MEN1ALDH1A1HDAC3
SCHEMBL4279912 0.82 KMT2A (0.51) KMT2ASMN1; SMN2MEN1ALDH1A1HDAC3

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 KMT2A 871/4885SMN1; SMN2 4064/4885MEN1 1910/4885

“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.