SCHEMBL4281439

SCHEMBL4281439

Cn1cc(NC(=O)C(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.58
ALDH1A1 P00352 4/20 0.57
MAPT P10636 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
LMNA P02545 1/20 0.57
TAS2R8 Q9NYW2 1/20 0.55
KMT2A Q03164 6/20 0.52
MEN1 O00255 4/20 0.51
S1PR3 Q99500 1/20 0.51
USP2 O75604 1/20 0.51
ESR1 P03372 1/20 0.51
NR4A1 P22736 1/20 0.51
PTK2B Q14289 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
EGFR P00533 2/20 0.49
FGFR1 P11362 2/20 0.49
KDR P35968 2/20 0.49
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL19699489 0.78 ALDH1A1 (0.58) ALDH1A1MAPTNPSR1KMT2AMEN1
SCHEMBL6966254 0.77 EGFR (0.70) ALDH1A1MAPTTAS2R8SMN1; SMN2HTT
SCHEMBL4730942 0.76 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HTTL3MBTL1EGFR
SCHEMBL1383257 0.75 POLB (1.00) POLBMAPTNPSR1KMT2AMEN1
SCHEMBL21275439 0.72 EP300 (0.58)
SCHEMBL1615713 0.72 TAS2R8 (1.00) TAS2R8
SCHEMBL4288489 0.71 MAPT (0.60) ALDH1A1MAPTLMNATAS2R8SMN1; SMN2
SCHEMBL21237224 0.71 KDM1A (0.61) SMN1; SMN2EGFRFGFR1KDR
SCHEMBL6780580 0.71 POLB (0.76) POLBALDH1A1MAPTNPSR1LMNA
SCHEMBL3937642 0.71 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2HTTL3MBTL1

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 1 patent. 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

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 POLB 3501/4885ALDH1A1 694/4885MAPT 868/4885

“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.