SCHEMBL4099265

SCHEMBL4099265

O=c1[nH]cnc2[nH]c(-c3ccnc(-c4cccc(F)c4)c3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 13/20 1.00
PIM1 P11309 2/20 0.46
PIM2 Q9P1W9 2/20 0.46
AURKA O14965 2/20 0.46
JAK2 O60674 2/20 0.46
LCK P06239 2/20 0.46
MET P08581 2/20 0.46
KIT P10721 2/20 0.46
MAPK1 P28482 2/20 0.46
KDR P35968 2/20 0.46
SYK P43405 2/20 0.46
MAPK8 P45983 2/20 0.46
MAPK9 P45984 2/20 0.46
GSK3B P49841 2/20 0.46
JAK3 P52333 2/20 0.46
EPHB4 P54760 2/20 0.46
PDK1 Q15118 2/20 0.46
MAPKAPK5 Q8IW41 2/20 0.46
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46

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
SCHEMBL4111025 0.88 MAPKAPK2 (1.00) MAPKAPK2PIM1PIM2AURKAJAK2
SCHEMBL4116711 0.86 MAPKAPK2 (0.76) MAPKAPK2PIM1PIM2AURKAJAK2
SCHEMBL4118647 0.80 MAPKAPK2 (0.67) MAPKAPK2PIM1PIM2MAPK1MAPK8
SCHEMBL4110941 0.79 MAPKAPK2 (0.74) MAPKAPK2PIM1PIM2AURKAJAK2
SCHEMBL4106225 0.79 MAPKAPK2 (0.77) MAPKAPK2PIM1PIM2AURKAJAK2
SCHEMBL4107091 0.77 MAPKAPK2 (0.63) MAPKAPK2PIM1PIM2AURKAJAK2
SCHEMBL18342008 0.77 MAPKAPK2 (0.76) MAPKAPK2PIM1PIM2KITGSK3B
SCHEMBL4110397 0.76 MAPKAPK2 (0.64) MAPKAPK2PIM1PIM2AURKAJAK2
SCHEMBL4105303 0.76 MAPKAPK2 (0.64) MAPKAPK2AURKAJAK2LCKMET
SCHEMBL4111734 0.76 MAPKAPK2 (0.61) MAPKAPK2PIM1PIM2AURKAJAK2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG 2009-07-02 US claimed
CN-101277962-A Bicyclic aromatic compounds useful as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 NOVARTIS PHARMA AG (CH) 2008-10-01 CN claimed
EP-1934223-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 Novartis Pharma AG (CH) 2008-06-25 EP claimed
WO-2007039285-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG (CH) 2007-04-12 WO claimed
US-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG 2009-07-02 US disclosed
US-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG 2009-07-02 US disclosed
US-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG 2009-07-02 US disclosed
CN-101277962-A Bicyclic aromatic compounds useful as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 NOVARTIS PHARMA AG (CH) 2008-10-01 CN disclosed
EP-1934223-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 Novartis Pharma AG (CH) 2008-06-25 EP disclosed
WO-2007039285-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG (CH) 2007-04-12 WO disclosed
WO-2007039285-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG (CH) 2007-04-12 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-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 MAP4K2, MAPKAPK2, MAP3K2 MAPKAPK2 2/4885PIM1 362/4885PIM2 250/4885

“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.