SCHEMBL2113805

SCHEMBL2113805

COC(=O)N1CCN(c2nc3c(C)c(F)ccc3cc2[C@H](C)Nc2ccnc3ccnn23)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.34
OPRK1 P41145 9/20 0.34
SOS1 Q07889 3/20 0.33
KRAS P01116 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTT P42858 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32
AKT1 P31749 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KCNH2 Q12809 1/20 0.31
PIK3CA P42336 1/20 0.31
MAP4K1 Q92918 1/20 0.31

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
SCHEMBL2114702 0.92 P2RX3 (0.38) P2RX3OPRK1SOS1KRASPIK3CD
SCHEMBL2114696 0.92 P2RX3 (0.38) P2RX3OPRK1SOS1KRASPIK3CD
SCHEMBL2114085 0.91 OPRK1 (0.34) P2RX3OPRK1SOS1MEN1KMT2A
SCHEMBL2115362 0.91 OPRK1 (0.34) P2RX3OPRK1MEN1KMT2APIK3CD
SCHEMBL2113554 0.90 P2RX3 (0.35) P2RX3OPRK1MEN1KMT2APIK3CD
SCHEMBL2113556 0.90 P2RX3 (0.35) P2RX3OPRK1MEN1KMT2APIK3CD
SCHEMBL2117052 0.90 TP53 (0.35) P2RX3OPRK1SOS1MEN1KMT2A
SCHEMBL2117046 0.90 TP53 (0.35) P2RX3OPRK1SOS1MEN1KMT2A
SCHEMBL2113546 0.89 KCNH2 (0.37) P2RX3OPRK1SOS1KCNH2
SCHEMBL2113700 0.89 ABCB1 (0.36) OPRK1HTT

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 P2RX3 123/4885OPRK1 305/4885SOS1 1776/4885

“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.