SCHEMBL2114094

SCHEMBL2114094

C[C@H](Nc1ccnc2ccnn12)c1cc2cccc(Cl)c2nc1N1CCNC(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.36
PIK3R1 P27986 1/20 0.36
DPP4 P27487 3/20 0.35
KCNN3 Q9UGI6 1/20 0.35
SOS1 Q07889 1/20 0.34
IDH1 O75874 6/20 0.33
IGF1R P08069 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PIK3CB P42338 2/20 0.31
PIK3CA P42336 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
SCHEMBL2112923 1.00 PIK3CD (0.36) PIK3CDPIK3R1DPP4KCNN3SOS1
SCHEMBL2112915 1.00 PIK3CD (0.36) PIK3CDPIK3R1DPP4KCNN3SOS1
SCHEMBL2113779 0.88 SOS1 (0.34) PIK3CDDPP4SOS1IDH1IGF1R
SCHEMBL2113787 0.88 SOS1 (0.34) PIK3CDDPP4SOS1IDH1IGF1R
SCHEMBL2116086 0.86 PIK3CD (0.35) PIK3CDDPP4KCNN3SOS1IDH1
SCHEMBL2116093 0.86 PIK3CD (0.35) PIK3CDDPP4KCNN3SOS1IDH1
SCHEMBL2114905 0.85 SOS1 (0.35) PIK3CDDPP4KCNN3SOS1IDH1
SCHEMBL2114904 0.85 SOS1 (0.35) PIK3CDDPP4KCNN3SOS1IDH1
SCHEMBL2117619 0.85 SOS1 (0.37) PIK3CDPIK3R1DPP4SOS1IDH1
SCHEMBL2117633 0.85 SOS1 (0.37) PIK3CDPIK3R1DPP4SOS1IDH1

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 6/4885PIK3R1 85/4885DPP4 576/4885

“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.