SCHEMBL4285745

SCHEMBL4285745

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.43
P2RX7 Q99572 1/20 0.42
GSK3B P49841 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PAX8 Q06710 1/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 1/20 0.39
WNT1 P04628 2/20 0.39
DYRK1A Q13627 2/20 0.39
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NAMPT P43490 1/20 0.37
HPGD P15428 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
SCHEMBL4292302 0.96 GSK3B (0.47) GRM5P2RX7GSK3BKMT2AMEN1
SCHEMBL4283563 0.87 GRM5 (0.47) GRM5P2RX7KMT2AMEN1ALDH1A1
SCHEMBL4279992 0.86 GRM5 (0.46) GRM5P2RX7KMT2AMEN1ALDH1A1
SCHEMBL4288777 0.85 GRM5 (0.45) GRM5P2RX7KMT2AMEN1
SCHEMBL4287245 0.85 GRM5 (0.45) GRM5P2RX7KMT2AMEN1ALDH1A1
SCHEMBL4284474 0.85 GRM4 (0.47) KMT2AALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL4285811 0.83 GRM5 (0.43) GRM5P2RX7KMT2AMEN1ALDH1A1
SCHEMBL4281633 0.82 GRM5 (0.43) GRM5P2RX7KMT2AMEN1ALDH1A1
SCHEMBL4286877 0.81 PAX8 (0.56) GSK3BKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4281573 0.81 L3MBTL1 (0.49) GSK3BKMT2AMEN1ALDH1A1SMN1; SMN2

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 1137/4885GSK3B 1/4885

“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.