SCHEMBL6071392

SCHEMBL6071392

Cn1cc2c(n1)-c1[nH]c3cccc(C(=O)O)c3c1CC2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.40
MAPK10 P53779 2/20 0.38
RIPK1 Q13546 2/20 0.38
DRD4 P21917 2/20 0.36
PBRM1 Q86U86 1/20 0.36
MPL P40238 5/20 0.34
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
HCAR2 Q8TDS4 2/20 0.34
CYP2C9 P11712 1/20 0.34
GFER P55789 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
FABP4 P15090 3/20 0.32
FABP3 P05413 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
SCHEMBL6071062 0.86 PARP1 (0.38) PARP1MAPK10RIPK1PBRM1MPL
SCHEMBL6070685 0.83 PARP1 (0.36) PARP1MAPK10RIPK1PBRM1MPL
SCHEMBL6070636 0.78 PARP1 (0.42) PARP1MAPK10RIPK1PBRM1MPL
SCHEMBL6071082 0.75 MPL (0.54) PARP1MAPK10RIPK1MPLKMT2A
SCHEMBL6070313 0.69 HSD17B10 (0.55) PARP1PBRM1GFERMEN1KMT2A
SCHEMBL6070436 0.68 NR4A2 (0.41) MAPK10RIPK1
SCHEMBL6238374 0.68 PARP1 (0.59) PARP1MEN1KMT2A
SCHEMBL6070839 0.68 PARP1 (0.47) PARP1PBRM1GFERMEN1NPC1
SCHEMBL6070845 0.68 PARP1 (0.47) PARP1PBRM1GFERMEN1NPC1
SCHEMBL6071124 0.66 MAPK10 (0.50) PARP1MAPK10RIPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 US claimed

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-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K1, MAP3K19, MAP3K20 PARP1 840/4885MAPK10 387/4885RIPK1 131/4885

“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.