SCHEMBL4283563

SCHEMBL4283563

Cc1cccc(C(=O)Nc2c[nH]nc2C(=O)NCCO)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.47
P2RX7 Q99572 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
DRD3 P35462 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
CD274 Q9NZQ7 2/20 0.38
PDCD1 Q15116 1/20 0.38
CNR1 P21554 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 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
SCHEMBL4287245 0.93 GRM5 (0.45) GRM5P2RX7SMN1; SMN2MAPTALDH1A1
SCHEMBL4279992 0.90 GRM5 (0.46) GRM5P2RX7SMN1; SMN2MAPTALDH1A1
SCHEMBL4288777 0.89 GRM5 (0.45) GRM5P2RX7MEN1KMT2AMAPK8
SCHEMBL4285745 0.87 GRM5 (0.43) GRM5P2RX7SMN1; SMN2MAPTALDH1A1
SCHEMBL4285811 0.87 GRM5 (0.43) GRM5P2RX7SMN1; SMN2MAPTALDH1A1
SCHEMBL4281633 0.86 GRM5 (0.43) GRM5P2RX7MAPTALDH1A1MEN1
SCHEMBL4292302 0.85 GSK3B (0.47) GRM5P2RX7SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL4281485 0.85 GRM5 (0.43) GRM5P2RX7SMN1; SMN2MEN1KMT2A
SCHEMBL4288595 0.84 GRM5 (0.45) GRM5P2RX7MEN1KMT2AMAPK8
SCHEMBL4288450 0.84 GRM5 (0.44) GRM5P2RX7ALDH1A1MEN1KMT2A

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 1137/4885SMN1; SMN2 4064/4885

“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.