SCHEMBL4137276

SCHEMBL4137276

Clc1ccc2c(n1)c(-c1ccc3ccccc3c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.37
RIPK2 O43353 1/20 0.37
PIK3CD O00329 4/20 0.37
PIK3CA P42336 4/20 0.37
PIK3CB P42338 4/20 0.37
PIK3CG P48736 4/20 0.37
PRKDC P78527 4/20 0.37
ABL1 P00519 2/20 0.37
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
PTGER4 P35408 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
VCP P55072 3/20 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
SCHEMBL4140232 0.88 SRC (0.42) SRCRIPK2PIK3CDPIK3CAPIK3CB
SCHEMBL4145901 0.83 MAPK1 (0.38) ADORA2AADORA1PTGER4KDM4EALDH1A1
SCHEMBL4146205 0.82 ADORA2A (0.40) SRCRIPK2PIK3CDPIK3CAPIK3CB
SCHEMBL4150397 0.81 SRC (0.40) SRCRIPK2PIK3CDPIK3CAPIK3CB
SCHEMBL4159884 0.79 PIK3CD (0.38) SRCRIPK2PIK3CDPIK3CAPIK3CB
SCHEMBL14074983 0.78 SRC (0.45) SRCRIPK2PIK3CDPIK3CAPIK3CB
SCHEMBL2869270 0.73 PIK3CD (0.44) SRCRIPK2PIK3CDPIK3CAPIK3CB
SCHEMBL2468189 0.72 ADORA2A (0.38) SRCADORA2AADORA1KDM4EALDH1A1
SCHEMBL4137424 0.71 SRC (0.38) SRCRIPK2PIK3CDPIK3CAPIK3CB
SCHEMBL4137268 0.71 DPP4 (0.42) ADORA2AADORA1KDM4EMEN1ALDH1A1

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.