SCHEMBL5010453

SCHEMBL5010453

Cc1ncccc1C(=O)Nc1cc(C(=O)NCc2ccccc2)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.46
MMP13 P45452 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
P2RX7 Q99572 1/20 0.45
MAPK8 P45983 1/20 0.45
ATM Q13315 1/20 0.45
HTT P42858 1/20 0.45
ADORA2A P29274 1/20 0.43
KDR P35968 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL5009903 0.88 SMN1; SMN2 (0.50) NSD2MMP13CYP1A2CYP2D6CYP2C19
SCHEMBL5008281 0.83 SMN1; SMN2 (0.55) MMP13CYP1A2CYP2D6CYP2C19HTT
SCHEMBL5013486 0.82 PPARG (0.54) MMP13CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL12142857 0.81 NSD2 (0.66) NSD2P2RX7MAPK8ATMADORA2A
SCHEMBL31569526 0.81 NSD2 (0.66) NSD2P2RX7MAPK8ATMADORA2A
SCHEMBL5010346 0.81 PPARG (0.48) MMP13CYP1A2CYP2D6CYP2C19HTT
SCHEMBL5009734 0.81 CYP1A2 (0.47) MMP13CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL5012232 0.81 JAK2 (0.48) MMP13CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL5012227 0.80 HTT (0.47) MMP13CYP1A2CYP2D6CYP2C19HTT
SCHEMBL5012209 0.80 CYP1A2 (0.47) MMP13CYP1A2CYP2D6CYP2C19ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL NSD2 4710/4885MMP13 1931/4885CYP1A2 683/4885

“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.