SCHEMBL2115676

SCHEMBL2115676

Cc1c(F)ccc2cc([C@H](C)Nc3ccnc4ccnn34)c(N3CC[C@H](NC(=O)C4CC4)C3)nc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 0.37
ACKR3 P25106 1/20 0.35
KDM5A P29375 4/20 0.34
KDM5C P41229 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
IDH1 O75874 1/20 0.33
PDE2A O00408 1/20 0.33
ACACB O00763 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
SCHEMBL2116484 0.88 OPRK1 (0.38) OPRK1
SCHEMBL2115728 0.87 OPRK1 (0.38) OPRK1KDM4EHPGDHSD17B10
SCHEMBL2113719 0.86 CCNT1 (0.38) OPRK1KDM4EALDH1A1
SCHEMBL2113546 0.85 KCNH2 (0.37) OPRK1KDM4EALDH1A1HSD17B10
SCHEMBL2113549 0.85 KCNH2 (0.37) OPRK1KDM4EALDH1A1HSD17B10
SCHEMBL2115344 0.82 OPRK1 (0.38) OPRK1KDM4EALDH1A1HSD17B10
SCHEMBL2115342 0.82 OPRK1 (0.38) OPRK1KDM4EALDH1A1HSD17B10
SCHEMBL2114696 0.82 P2RX3 (0.38) OPRK1
SCHEMBL2114702 0.82 P2RX3 (0.38) OPRK1
SCHEMBL2113556 0.81 P2RX3 (0.35) OPRK1HPGD

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 305/4885ACKR3 1935/4885KDM5A 2994/4885

“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.