SCHEMBL3083236

SCHEMBL3083236

Cn1c[c]cc(C#N)c1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 5/20 0.43
GAA P10253 4/20 0.43
GLA P06280 1/20 0.43
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
KDM5A P29375 1/20 0.34
IMPDH2 P12268 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
USP2 O75604 1/20 0.30

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
SCHEMBL955837 0.70
SCHEMBL1201357 0.70 ALDH1A1 (0.51) KDM4EALDH1A1GAAGLALMNA
SCHEMBL2534651 0.68
SCHEMBL5250090 0.68
SCHEMBL22229480 0.68 KDM4E (0.42) KDM4EALDH1A1GAAGLALMNA
SCHEMBL1817232 0.67
SCHEMBL24152813 0.67 KDM4E (0.57) KDM4EALDH1A1GAAGLALMNA
SCHEMBL3076107 0.65 ALDH1A1 (0.56) KDM4EALDH1A1GAAGLALMNA
SCHEMBL9832018 0.64 POLB (0.43) KDM4EALDH1A1GAAGLALMNA
SCHEMBL3344524 0.64 KMT2A (0.35) KDM4EALDH1A1LMNAHPGDMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 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 (2 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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 KDM4E 1414/4885ALDH1A1 809/4885GAA 4868/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 KDM4E 1440/4885ALDH1A1 816/4885GAA 4868/4885

“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.