SCHEMBL216094

SCHEMBL216094

COc1ccc(N(C(=O)c2nc[nH]c2C(N)=O)c2nc3ccccc3[nH]2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
TLR9 Q9NR96 1/20 0.39
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
NTRK1 P04629 2/20 0.37
NTRK2 Q16620 2/20 0.37
RAB9A P51151 8/20 0.36
NPC1 O15118 7/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
PKM P14618 2/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 1/20 0.36
FGFR1 P11362 1/20 0.35

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
SCHEMBL214764 0.93 POLB (0.48) POLBKMT2AMEN1TLR9MAPT
SCHEMBL213394 0.91 POLB (0.48) POLBKMT2AMEN1TLR9MAPT
SCHEMBL214140 0.90 POLB (0.48) POLBKMT2AMEN1TLR9MAPT
SCHEMBL214043 0.89 POLB (0.47) POLBKMT2AMEN1TLR9MAPT
SCHEMBL216562 0.87 POLB (0.64) POLBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL216365 0.86 POLB (0.50) POLBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL213501 0.85 POLB (0.44) POLBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL215675 0.84 POLB (0.44) POLBKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL213796 0.83 KMT2A (0.41) POLBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL217227 0.82 POLB (0.37) POLBKMT2AMEN1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 POLB 3464/4885KMT2A 437/4885MEN1 3504/4885

“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.