SCHEMBL4292387

SCHEMBL4292387

O=C(Nc1c[nH]nc1C(=O)NCCc1cccnc1)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NAMPT P43490 2/20 0.44
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41
PTAFR P25105 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL4281575 0.91 RAB9A (0.48) HTTNPC1RAB9AKMT2AMEN1
SCHEMBL5268713 0.87 KMT2A (0.56) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4279948 0.84 KMT2A (0.52) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4283208 0.84 SMN1; SMN2 (0.49) HTTNPC1RAB9AKMT2AMEN1
SCHEMBL4279961 0.82 KMT2A (0.51) KMT2AMEN1SMN1; SMN2HDAC2HDAC8
SCHEMBL4293270 0.82 KDR (0.53) HTTKMT2AMEN1HDAC2HDAC8
SCHEMBL4293142 0.81 ALDH1A1 (0.51) HTTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4279804 0.81 SMN1; SMN2 (0.55) HTTKMT2AMEN1SMN1; SMN2HDAC2
SCHEMBL4281447 0.80 TSHR (0.51) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4284606 0.79 SMN1; SMN2 (0.55) HTTNPC1RAB9AKMT2ASMN1; SMN2

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 HTT 4201/4885NPC1 1266/4885RAB9A 291/4885

“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.