SCHEMBL4146205

SCHEMBL4146205

N#Cc1ccc2c(n1)c(-c1ccc3ccccc3c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
SRC P12931 5/20 0.35
PGGT1B P53609 1/20 0.35
RIPK2 O43353 1/20 0.35
PIK3CD O00329 2/20 0.35
ABL1 P00519 2/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
PRKDC P78527 2/20 0.35
SOS2 Q07890 1/20 0.35
MAPK8 P45983 2/20 0.32
MAP4K4 O95819 1/20 0.32
ROS1 P08922 1/20 0.32
FLT3 P36888 1/20 0.32
GSK3B P49841 1/20 0.32
ITK Q08881 1/20 0.32
DYRK1A Q13627 1/20 0.32
AURKB Q96GD4 1/20 0.32

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 0.82 SRC (0.37) ADORA2AADORA1SRCRIPK2PIK3CD
SCHEMBL4140232 0.82 SRC (0.42) ADORA2AADORA1SRCRIPK2PIK3CD
SCHEMBL4150397 0.79 SRC (0.40) ADORA2AADORA1SRCRIPK2PIK3CD
SCHEMBL4145274 0.77 SOS2 (0.34) SOS2CTSSMET
SCHEMBL2861553 0.72 RAC1 (0.37) ADORA2AADORA1SRCPGGT1BRIPK2
SCHEMBL4137412 0.72 ADORA2A (0.39) ADORA2AADORA1SRCRIPK2PIK3CD
SCHEMBL2869270 0.70 PIK3CD (0.44) ADORA2AADORA1SRCRIPK2PIK3CD
SCHEMBL4159884 0.69 PIK3CD (0.38) ADORA2AADORA1SRCRIPK2PIK3CD
SCHEMBL4148989 0.69 NFE2L2 (0.40) SMN1; SMN2KDM4EALDH1A1
SCHEMBL2861359 0.68 SRC (0.40) ADORA2AADORA1SRCRIPK2PIK3CD

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 ADORA2A 1738/4885ADORA1 1755/4885SRC 139/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B ADORA2A 2046/4885ADORA1 2201/4885SRC 151/4885

“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.