SCHEMBL2115728

SCHEMBL2115728

Cc1c(F)ccc2cc([C@H](C)Nc3ccnc4ccnn34)c(N3CCC(C(=O)O)CC3)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.38
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
MPL P40238 3/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R1 P27986 1/20 0.33
GPR6 P46095 1/20 0.33
ELANE P08246 1/20 0.33
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GUCY1B2 O75343 1/20 0.32
GUCY1A2 P33402 1/20 0.32
GUCY1A1 Q02108 1/20 0.32
GUCY1B1 Q02153 1/20 0.32
NEK2 P51955 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
SCHEMBL2113719 0.93 CCNT1 (0.38) OPRK1KDM4E
SCHEMBL2116484 0.92 OPRK1 (0.38) OPRK1GPR6NPSR1
SCHEMBL2113546 0.89 KCNH2 (0.37) OPRK1KDM4EUSP2HSD17B10
SCHEMBL2113549 0.89 KCNH2 (0.37) OPRK1KDM4EUSP2HSD17B10
SCHEMBL2115344 0.88 OPRK1 (0.38) OPRK1PIK3CDPIK3R1KDM4EHSD17B10
SCHEMBL2115342 0.88 OPRK1 (0.38) OPRK1PIK3CDPIK3R1KDM4EHSD17B10
SCHEMBL2114702 0.87 P2RX3 (0.38) OPRK1PIK3CD
SCHEMBL2114696 0.87 P2RX3 (0.38) OPRK1PIK3CD
SCHEMBL2113311 0.87 TNF (0.35) OPRK1PIK3CDPIK3R1GPR6
SCHEMBL2115676 0.87 OPRK1 (0.37) OPRK1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US claimed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US 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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA OPRK1 305/4885PDE4A 1002/4885PDE4B 1098/4885

“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.