SCHEMBL4288020

SCHEMBL4288020

Cn1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
WNT1 P04628 1/20 0.54
GSK3B P49841 1/20 0.54
DYRK1A Q13627 1/20 0.54
RORC P51449 1/20 0.53
WNT3A P56704 4/20 0.53
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
RET P07949 1/20 0.51
PDGFRB P09619 1/20 0.49
FLT4 P35916 1/20 0.49
FLT3 P36888 1/20 0.49

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
SCHEMBL21286084 0.86 WNT1 (0.64) KMT2AMEN1NPC1LMNAPKM
SCHEMBL4288489 0.78 MAPT (0.60) NPC1LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL3714852 0.78 KMT2A (1.00) KMT2AMEN1NPC1LMNAPKM
SCHEMBL19350228 0.78 NTRK1 (0.55) ALDH1A1HTTSMN1; SMN2L3MBTL1WNT1
SCHEMBL1948079 0.77 KMT2A (0.83) KMT2AMEN1NPC1LMNAPKM
SCHEMBL29640907 0.75 WNT1 (0.73) KMT2AMEN1WNT1GSK3BDYRK1A
SCHEMBL21285856 0.75 WNT1 (0.73) KMT2AMEN1WNT1GSK3BDYRK1A
SCHEMBL4285505 0.75 ALDH1A1 (0.64) NPC1LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL8331684 0.75 MEN1 (0.79) KMT2AMEN1NPC1LMNAPKM
SCHEMBL22953826 0.74 RORC (0.57) KMT2AMEN1NPC1LMNAALDH1A1

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 1 patent. 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

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 871/4885MEN1 1910/4885NPC1 1266/4885

“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.