SCHEMBL2116488

SCHEMBL2116488

Cc1c(F)ccc2cc([C@H](C)Nc3ccnc4ccnn34)c(N3CCOC3=O)nc12

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 19/20 0.43
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34

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
SCHEMBL2115816 0.87 IDH1 (0.38) IDH1PIK3CDPIK3R1
SCHEMBL2115344 0.85 OPRK1 (0.38) PIK3CDPIK3R1
SCHEMBL2115342 0.85 OPRK1 (0.38) PIK3CDPIK3R1
SCHEMBL2117633 0.82 SOS1 (0.37) IDH1PIK3CDPIK3R1
SCHEMBL2117619 0.82 SOS1 (0.37) IDH1PIK3CDPIK3R1
SCHEMBL864168 0.81 PIK3CD (0.36) IDH1PIK3CDPIK3R1
SCHEMBL2114702 0.81 P2RX3 (0.38) PIK3CD
SCHEMBL2114696 0.81 P2RX3 (0.38) PIK3CD
SCHEMBL2114085 0.81 OPRK1 (0.34) PIK3CDPIK3R1
SCHEMBL2115362 0.80 OPRK1 (0.34) PIK3CDPIK3R1

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 IDH1 1502/4885PIK3CD 6/4885PIK3R1 85/4885

“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.