SCHEMBL4137424

SCHEMBL4137424

[O-][n+]1cccc2c1c(-c1ccc3ccccc3c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.38
PIK3CD O00329 8/20 0.38
PRKDC P78527 8/20 0.38
PIK3CA P42336 7/20 0.38
PIK3CB P42338 7/20 0.38
PIK3CG P48736 7/20 0.38
ABL1 P00519 3/20 0.38
RIPK2 O43353 1/20 0.36
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35
KDR P35968 1/20 0.35
MTOR P42345 1/20 0.35
EPHB4 P54760 1/20 0.35
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31

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
SCHEMBL2471997 0.83 GRM2 (0.34) SRCEGFRKDRADORA2AADORA1
SCHEMBL4139840 0.83 ALDH1A1 (0.38) ADORA2AADORA1MAPK11MAPK14
SCHEMBL5476722 0.75 GLS (0.31)
SCHEMBL4145541 0.75 HSP90AA1 (0.32)
SCHEMBL4150397 0.75 SRC (0.40) SRCPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL4137276 0.71 SRC (0.37) SRCPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL4140232 0.71 SRC (0.42) SRCPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL2869270 0.71 PIK3CD (0.44) SRCPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL4159884 0.70 PIK3CD (0.38) SRCPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL2861359 0.69 SRC (0.40) SRCPIK3CDPRKDCPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B SRC 139/4885PIK3CD 2971/4885PRKDC 1244/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B SRC 151/4885PIK3CD 3161/4885PRKDC 1089/4885

“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.