SCHEMBL4140232

SCHEMBL4140232

Nc1ccc2c(n1)c(-c1ccc3ccccc3c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.42
RIPK2 O43353 1/20 0.42
PIK3CD O00329 7/20 0.41
PRKDC P78527 7/20 0.41
PIK3CA P42336 6/20 0.41
PIK3CB P42338 6/20 0.41
PIK3CG P48736 6/20 0.41
ABL1 P00519 4/20 0.41
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
BACE1 P56817 1/20 0.37
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
KDR P35968 1/20 0.36
MTOR P42345 1/20 0.36
EPHB4 P54760 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
PIM1 P11309 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL4137276 0.88 SRC (0.37) SRCRIPK2PIK3CDPRKDCPIK3CA
SCHEMBL2468189 0.84 ADORA2A (0.38) SRCADORA2AADORA1KDR
SCHEMBL4137268 0.83 DPP4 (0.42) ADORA2AADORA1
SCHEMBL4146205 0.82 ADORA2A (0.40) SRCRIPK2PIK3CDPRKDCPIK3CA
SCHEMBL4150397 0.81 SRC (0.40) SRCRIPK2PIK3CDPRKDCPIK3CA
SCHEMBL14074984 0.78 SRC (0.51) SRCRIPK2PIK3CDPRKDCPIK3CA
SCHEMBL2869270 0.78 PIK3CD (0.44) SRCRIPK2PIK3CDPRKDCPIK3CA
SCHEMBL2861359 0.75 SRC (0.40) SRCRIPK2PIK3CDPRKDCPIK3CA
SCHEMBL2858897 0.75 SRC (0.44) SRCRIPK2PIK3CDPRKDCPIK3CA
SCHEMBL4137424 0.71 SRC (0.38) SRCRIPK2PIK3CDPRKDCPIK3CA

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 139/4885RIPK2 302/4885PIK3CD 2971/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B SRC 151/4885RIPK2 223/4885PIK3CD 3161/4885

“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.