SCHEMBL2114085

SCHEMBL2114085

Cc1c(F)ccc2cc([C@H](C)Nc3ccnc4ccnn34)c(N3CCN(C(N)=O)CC3)nc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.34
CCNT1 O60563 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
CCNA1 P78396 1/20 0.34
P2RX3 P56373 5/20 0.34
P2RX2 Q9UBL9 4/20 0.34
P2RX1 P51575 1/20 0.34
AKT1 P31749 1/20 0.33
PIK3CD O00329 2/20 0.32
PIK3R1 P27986 1/20 0.32
SOS1 Q07889 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL2114696 0.93 P2RX3 (0.38) OPRK1P2RX3P2RX2AKT1PIK3CD
SCHEMBL2114702 0.93 P2RX3 (0.38) OPRK1P2RX3P2RX2AKT1PIK3CD
SCHEMBL2115362 0.91 OPRK1 (0.34) OPRK1CCNT1CDK2CDK9CCNA1
SCHEMBL2113805 0.91 P2RX3 (0.34) OPRK1P2RX3AKT1PIK3CDPIK3R1
SCHEMBL2113554 0.91 P2RX3 (0.35) OPRK1P2RX3AKT1PIK3CDPIK3R1
SCHEMBL2113556 0.91 P2RX3 (0.35) OPRK1P2RX3AKT1PIK3CDPIK3R1
SCHEMBL2117052 0.91 TP53 (0.35) OPRK1P2RX3AKT1PIK3CDPIK3R1
SCHEMBL2117046 0.91 TP53 (0.35) OPRK1P2RX3AKT1PIK3CDPIK3R1
SCHEMBL2113546 0.90 KCNH2 (0.37) OPRK1P2RX3SOS1
SCHEMBL2113700 0.90 ABCB1 (0.36) OPRK1

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 305/4885CCNT1 2033/4885CDK2 73/4885

“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.