SCHEMBL4288450

SCHEMBL4288450

CCOC(=O)CNC(=O)c1n[nH]cc1NC(=O)c1cccc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.44
P2RX7 Q99572 1/20 0.43
HTT P42858 1/20 0.42
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.39
KDM4E B2RXH2 4/20 0.39
RAB9A P51151 3/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 2/20 0.38
PKM P14618 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.37
CHRNA9 Q9UGM1 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4281633 0.90 GRM5 (0.43) GRM5P2RX7ALDH1A1LMNARAB9A
SCHEMBL4288595 0.84 GRM5 (0.45) GRM5P2RX7KDM4EGAAIRAK4
SCHEMBL4283563 0.84 GRM5 (0.47) GRM5P2RX7ALDH1A1LMNAHPGD
SCHEMBL4279992 0.83 GRM5 (0.46) GRM5P2RX7ALDH1A1HPGDRAB9A
SCHEMBL4281485 0.82 GRM5 (0.43) GRM5P2RX7HPGDRAB9ANPC1
SCHEMBL4287245 0.82 GRM5 (0.45) GRM5P2RX7ALDH1A1LMNAHPGD
SCHEMBL4288777 0.82 GRM5 (0.45) GRM5P2RX7LMNAMEN1KMT2A
SCHEMBL4284286 0.81 GRM5 (0.42) GRM5P2RX7IRAK4MEN1KMT2A
SCHEMBL4285811 0.80 GRM5 (0.43) GRM5P2RX7ALDH1A1HPGDRAB9A
SCHEMBL4285745 0.80 GRM5 (0.43) GRM5P2RX7HTTALDH1A1HPGD

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 GRM5 3842/4885P2RX7 1137/4885HTT 4201/4885

“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.