SCHEMBL4288627

SCHEMBL4288627

CCC(C#N)NC(=O)c1n[nH]cc1NC(=O)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MITF O75030 1/20 0.41
PKM P14618 1/20 0.41
GRM4 Q14833 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL4287582 0.83 KDM4E (0.50) MAPTGAARAB9ANPC1SMN1; SMN2
SCHEMBL4279805 0.81 MAPT (0.44) MAPTGAARAB9ANPC1SMN1; SMN2
SCHEMBL4285715 0.79 MAPT (0.44) MAPTGAAKMT2AMEN1LMNA
SCHEMBL4284549 0.78 NPC1 (0.50) MAPTGAARAB9ANPC1SMN1; SMN2
SCHEMBL4288632 0.78 SMN1; SMN2 (0.48) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4287109 0.78 KMT2A (0.44) GAAKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL4283548 0.77 NPC1 (0.40) MAPTGAARAB9ANPC1SMN1; SMN2
SCHEMBL4287382 0.76 NPC1 (0.50) MAPTGAARAB9ANPC1SMN1; SMN2
SCHEMBL4284371 0.76 HDAC1 (0.52) MAPTGAAKMT2ALMNARAB9A
SCHEMBL4287390 0.75 KDR (0.56) MAPTRAB9ANPC1SMN1; SMN2KDM4E

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 2871/4885KMT2A 871/4885

“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.