SCHEMBL2185158

SCHEMBL2185158

O=S(=O)(Oc1ccnc2cnc(Cl)cc12)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ESR2 Q92731 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
IDO1 P14902 7/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
MET P08581 1/20 0.31
AXL P30530 4/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL26632797 0.82 NR4A2 (0.45) PDE4APDE4CPDE4DESR2SLC22A12
SCHEMBL12367222 0.82 LMNA (0.35) SLC22A12IDO1METAXLLMNA
SCHEMBL4525281 0.81 PDE4A (0.35) PDE4APDE4CPDE4DESR2SLC22A12
SCHEMBL8501623 0.80 SMN1; SMN2 (0.50) PDE4APDE4CPDE4DLMNASMN1; SMN2
SCHEMBL29397704 0.79 PTGS1 (0.36) ESR2SLC22A12CA1CA2
SCHEMBL28721905 0.79 PTGS1 (0.36) ESR2SLC22A12CA1CA2
SCHEMBL591544 0.78 IDO1 (0.45) SLC22A12IDO1AXL
SCHEMBL14999154 0.78 SRC (0.39) ESR2SLC22A12AXLSMN1; SMN2
SCHEMBL23579175 0.77 EPAS1 (0.34) PDE4APDE4CPDE4DESR2CA1
SCHEMBL30150671 0.77 EPAS1 (0.34) PDE4APDE4CPDE4DESR2CA1

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 9 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-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US disclosed
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
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
EP-2342190-A1 BICYCLIC KINASE INHIBITORS Novartis AG (CH) 2011-07-13 EP disclosed
WO-2010026121-A1 BICYCLIC KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed
WO-2010026121-A1 BICYCLIC KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO 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 PDE4A 3418/4885PDE4C 2884/4885PDE4D 3215/4885

“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.