SCHEMBL2114025

SCHEMBL2114025

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.38
CDK2 P24941 1/20 0.35
CDK4 P11802 4/20 0.34
CSF1R P07333 3/20 0.34
CDK6 Q00534 3/20 0.34
OPRK1 P41145 3/20 0.34
TLR9 Q9NR96 5/20 0.33
TLR8 Q9NR97 5/20 0.33
TLR7 Q9NYK1 5/20 0.33
AKT1 P31749 1/20 0.32
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
P2RX3 P56373 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MELK Q14680 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
SCHEMBL2113556 0.92 P2RX3 (0.35) PIK3CDOPRK1AKT1P2RX3MEN1
SCHEMBL2113554 0.92 P2RX3 (0.35) PIK3CDOPRK1AKT1P2RX3MEN1
SCHEMBL2114696 0.89 P2RX3 (0.38) PIK3CDOPRK1AKT1P2RX3
SCHEMBL2114702 0.89 P2RX3 (0.38) PIK3CDOPRK1AKT1P2RX3
SCHEMBL2114085 0.89 OPRK1 (0.34) PIK3CDCDK2OPRK1AKT1P2RX3
SCHEMBL2113805 0.88 P2RX3 (0.34) PIK3CDOPRK1AKT1PIK3CAP2RX3
SCHEMBL2115362 0.88 OPRK1 (0.34) PIK3CDCDK2CDK4CDK6OPRK1
SCHEMBL2114991 0.87 PIK3CD (0.39) PIK3CDOPRK1TLR9TLR8TLR7
SCHEMBL2114987 0.87 PIK3CD (0.39) PIK3CDOPRK1TLR9TLR8TLR7
SCHEMBL2117046 0.87 TP53 (0.35) PIK3CDOPRK1AKT1P2RX3MEN1

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 PIK3CD 6/4885CDK2 73/4885CDK4 221/4885

“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.