SCHEMBL4099274

SCHEMBL4099274

CCOC(=O)c1cc(-c2ccnc(Cl)c2)[nH]c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.53
CDK5 Q00535 2/20 0.51
CDK5R1 Q15078 2/20 0.51
CASP1 P29466 1/20 0.44
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CHEK2 O96017 1/20 0.41
GSK3B P49841 2/20 0.41
CDC7 O00311 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
CDK2 P24941 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
NUDT1 P36639 1/20 0.41
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41

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
SCHEMBL3611540 0.84 GCGR (0.51) GCGRCDK5CDK5R1CASP1ALDH1A1
SCHEMBL3979153 0.84 GCGR (0.65) GCGRCDK5CDK5R1CASP1ALDH1A1
SCHEMBL4181389 0.83 GCGR (0.64) GCGRCDK5CDK5R1ALDH1A1KMT2A
SCHEMBL13775159 0.79 MAPKAPK2 (0.50) GCGRCDK5ALDH1A1KMT2AMEN1
SCHEMBL7997890 0.78 ALDH1A1 (0.56) GCGRALDH1A1KMT2AMEN1JAK2
SCHEMBL28411840 0.78 GCGR (0.51) GCGRCASP1ALDH1A1KMT2AMEN1
SCHEMBL7500235 0.77 LMNA (0.54) GCGRALDH1A1KMT2AMEN1NPC1
SCHEMBL7498429 0.77 TUBB4A (0.48) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL6268999 0.76 MEN1 (0.51) GCGRALDH1A1KMT2AMEN1CDC7
SCHEMBL18342044 0.76 MEN1 (0.55) GCGRALDH1A1KMT2AMEN1CDC7

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 6 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 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
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 GCGR 2039/4885CDK5 106/4885CDK5R1 112/4885

“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.