SCHEMBL4145178

SCHEMBL4145178

NC(=O)n1nc(-c2ccc3ccccc3c2)c2n[c]ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.44
RIPK2 O43353 1/20 0.44
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
PRKDC P78527 2/20 0.40
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
LIPE Q05469 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
HCK P08631 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL4216581 0.80 SCN4A (0.35) CA1CA2CA9ADORA2AADORA1
SCHEMBL2863191 0.77 SRC (0.42) SRCRIPK2PIK3CDPIK3CAPIK3CB
SCHEMBL2871125 0.74 SRC (0.43) SRCRIPK2PIK3CDPIK3CAPIK3CB
SCHEMBL2864679 0.72 SRC (0.42) SRCRIPK2PIK3CDPIK3CAPIK3CB
SCHEMBL2864469 0.68 SRC (0.42) SRCRIPK2PIK3CDPIK3CAPIK3CB
SCHEMBL4145175 0.64 CA12 (0.39) SRCRIPK2RAB9ASMN1; SMN2KDR
SCHEMBL16247045 0.61 RIPK2 (1.00) SRCRIPK2KDR
SCHEMBL13197748 0.61 ADORA2A (0.55) RAB9ANPC1SMN1; SMN2MAPK8ADORA2A
SCHEMBL12223315 0.60 ADORA2A (0.58) RAB9ANPC1SMN1; SMN2MAPK8ADORA2A
SCHEMBL2862700 0.59 SRC (0.39) SRCRIPK2PIK3CDPIK3CAPIK3CB

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-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-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 (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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B SRC 139/4885RIPK2 302/4885PIK3CD 2971/4885

“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.