SCHEMBL12367227

SCHEMBL12367227

C[C@H]1CCCN(c2c(F)cnc3cnc(B4OC(C)(C)C(C)(C)O4)cc23)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.37
TP53 P04637 3/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LRRK2 Q5S007 3/20 0.35
PRKDC P78527 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
CYP8B1 Q9UNU6 4/20 0.32
GRM4 Q14833 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
JAK3 P52333 1/20 0.31
CHRM4 P08173 1/20 0.31
MAPT P10636 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
SCHEMBL12367224 0.81 PRKDC (0.38) TP53MEN1KMT2ALRRK2PRKDC
SCHEMBL13457584 0.81 PRKDC (0.38) TP53MEN1KMT2ALRRK2PRKDC
SCHEMBL2263800 0.80 BTK (0.44) JAK3
SCHEMBL2263804 0.80 BTK (0.44) JAK3
SCHEMBL12367226 0.79 ADRB2 (0.42) ADRB2TP53POLBMEN1KMT2A
SCHEMBL30018701 0.69 ADRA1A (0.37) TP53LRRK2PRKDCGRM4JAK3
SCHEMBL31217388 0.66 ADRA1A (0.45) TP53LRRK2PRKDCKDM4EHTT
SCHEMBL12367269 0.65 ATR (0.39) KMT2ALRRK2PRKDCKDM4EHTT
SCHEMBL13457766 0.65 ATR (0.39) KMT2ALRRK2PRKDCKDM4EHTT
SCHEMBL24894886 0.64 LRRK2 (0.34) LRRK2

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-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 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-20110195980-A1 Bicyclic Kinase Inhibitors PIM1, PIM2, PIM3 ADRB2 4858/4885TP53 24/4885POLB 1282/4885

“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.