SCHEMBL5268929

SCHEMBL5268929

COc1ccc(-n2nc(C(=O)N3C(C)CCC3C)cc2-c2ccccn2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.38
PIK3CA P42336 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R2 O00459 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PIK3R5 Q8WYR1 1/20 0.37
PIK3R3 Q92569 1/20 0.37
RPA1 P27694 1/20 0.36
NTRK1 P04629 1/20 0.36
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
PDE4B Q07343 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5455381 0.92 ADORA2A (0.36) MGLLPIK3CAPIK3CDPIK3R2PIK3CB
SCHEMBL14529765 0.87 PDE4B (0.37) MGLLNTRK1PDE4BSMN1; SMN2SLC16A3
SCHEMBL5265982 0.87 SCD5 (0.43) MGLLNTRK1NPC1ALDH1A1TP53
SCHEMBL2919121 0.86 HCRTR1 (0.40) MGLLPIK3CAPIK3CDPIK3R2PIK3CB
SCHEMBL5269498 0.86 HCRTR2 (0.37) HCRTR1HCRTR2PDE4BNPC1ALDH1A1
SCHEMBL5266809 0.84 MGLL (0.45) MGLLPIK3CAPIK3CDPIK3R2PIK3CB
SCHEMBL2916328 0.84 BRD4 (0.41) MGLLPIK3CAPIK3CDPIK3R2PIK3CB
SCHEMBL2918346 0.84 CFTR (0.42) MGLLNTRK1HCRTR1HCRTR2SMN1; SMN2
SCHEMBL2918250 0.84 RPA1 (0.52) RPA1NTRK1
SCHEMBL13637539 0.84 MALT1 (0.45) MGLLPIK3CAPIK3CDPIK3R2PIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 MGLL 4176/4885PIK3CA 3695/4885PIK3CD 3955/4885

“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.