SCHEMBL2115750

SCHEMBL2115750

C[C@H](Nc1ccnc2ccnn12)c1cc2cccc(Cl)c2nc1N1CC[C@@H](NC(=O)CO)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.36
SMO Q99835 2/20 0.36
ACKR3 P25106 2/20 0.35
PDE10A Q9Y233 2/20 0.34
CNR2 P34972 9/20 0.34
CNR1 P21554 2/20 0.34
MAPK1 P28482 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
PTGES O14684 1/20 0.32

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
SCHEMBL2116477 0.84 DKK1 (0.38) PDE10AMAPK1
SCHEMBL2115716 0.84 PIK3CD (0.35) PIK3CDSMOCNR1
SCHEMBL2114304 0.84 MALT1 (0.39) PDE10AMAPK1
SCHEMBL2115354 0.81 CNR2 (0.40) PIK3CDCNR2
SCHEMBL2115352 0.81 CNR2 (0.40) PIK3CDCNR2
SCHEMBL2113140 0.81 TNF (0.39) PIK3CD
SCHEMBL2115574 0.81 RAD52 (0.38) PIK3CD
SCHEMBL2117137 0.80 KCNN3 (0.37) PIK3CD
SCHEMBL14480920 0.80 PIK3CD (0.42) PIK3CDSMOACKR3PDE10ACNR2
SCHEMBL14480922 0.80 PIK3CD (0.42) PIK3CDSMOACKR3PDE10ACNR2

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 6/4885SMO 3246/4885ACKR3 1935/4885

“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.