SCHEMBL214764

SCHEMBL214764

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
TLR9 Q9NR96 1/20 0.41
FPR1 P21462 1/20 0.39
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPK1 P28482 1/20 0.38
NTRK1 P04629 2/20 0.37
NTRK2 Q16620 2/20 0.37
FGFR1 P11362 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL216094 0.93 POLB (0.48) POLBKMT2AMEN1TLR9NPC1
SCHEMBL214140 0.91 POLB (0.48) POLBKMT2AMEN1TLR9NPC1
SCHEMBL213501 0.90 POLB (0.44) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL214043 0.90 POLB (0.47) POLBKMT2AMEN1TLR9NPC1
SCHEMBL213394 0.90 POLB (0.48) POLBKMT2AMEN1TLR9NPC1
SCHEMBL216562 0.87 POLB (0.64) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL216365 0.86 POLB (0.50) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL215675 0.84 POLB (0.44) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL213499 0.81 POLB (0.42) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL214715 0.81 POLB (0.40) POLBKMT2ANPC1RAB9ASMN1; 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.