SCHEMBL2114987

SCHEMBL2114987

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.39
LRRK2 Q5S007 1/20 0.34
OPRK1 P41145 3/20 0.34
TLR8 Q9NR97 6/20 0.34
TLR7 Q9NYK1 6/20 0.34
TLR9 Q9NR96 5/20 0.32
CCNT1 O60563 4/20 0.32
CDK9 P50750 4/20 0.32
P2RX3 P56373 1/20 0.31
GRIN2B Q13224 2/20 0.31
MAP4K4 O95819 1/20 0.31
PIK3R1 P27986 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
SCHEMBL2114991 1.00 PIK3CD (0.39) PIK3CDLRRK2OPRK1TLR8TLR7
SCHEMBL2113311 0.92 TNF (0.35) PIK3CDOPRK1PIK3R1
SCHEMBL2114025 0.87 PIK3CD (0.38) PIK3CDOPRK1TLR8TLR7TLR9
SCHEMBL2114702 0.87 P2RX3 (0.38) PIK3CDOPRK1P2RX3
SCHEMBL2114696 0.87 P2RX3 (0.38) PIK3CDOPRK1P2RX3
SCHEMBL2113554 0.86 P2RX3 (0.35) PIK3CDLRRK2OPRK1P2RX3PIK3R1
SCHEMBL2113556 0.86 P2RX3 (0.35) PIK3CDLRRK2OPRK1P2RX3PIK3R1
SCHEMBL2114085 0.86 OPRK1 (0.34) PIK3CDOPRK1CCNT1CDK9P2RX3
SCHEMBL2115342 0.86 OPRK1 (0.38) PIK3CDOPRK1CCNT1CDK9PIK3R1
SCHEMBL2115344 0.86 OPRK1 (0.38) PIK3CDOPRK1CCNT1CDK9PIK3R1

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 6/4885LRRK2 736/4885OPRK1 305/4885

“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.