SCHEMBL4292545

SCHEMBL4292545

CC(C#N)(CNC(=O)c1n[nH]cc1NC(=O)c1ccccn1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 5/20 0.38
HTT P42858 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDR P35968 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
DPP4 P27487 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL4283548 0.86 NPC1 (0.40) MAPTGAAKDM4EHTTSMN1; SMN2
SCHEMBL4279805 0.81 MAPT (0.44) MAPTGAAKDM4EHTTSMN1; SMN2
SCHEMBL4283209 0.80 NPC1 (0.42) MAPTGAAKDM4EHTTSMN1; SMN2
SCHEMBL4293270 0.80 KDR (0.53) MAPTGAAKDM4EHTTKDR
SCHEMBL4279957 0.79 HDAC3 (0.44) MAPTGAAKDM4ESMN1; SMN2NPC1
SCHEMBL4281575 0.78 RAB9A (0.48) MAPTKDM4EHTTSMN1; SMN2NPC1
SCHEMBL4287145 0.77 SMN1; SMN2 (0.46) MAPTGAAKDM4EHTTSMN1; SMN2
SCHEMBL4287109 0.77 KMT2A (0.44) GAAKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL4283208 0.76 SMN1; SMN2 (0.49) MAPTKDM4EHTTSMN1; SMN2NPC1
SCHEMBL4288632 0.75 SMN1; SMN2 (0.48) KDM4EHTTSMN1; SMN2ALDH1A1L3MBTL1

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 MAPT 868/4885GAA 2871/4885KDM4E 810/4885

“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.