SCHEMBL216562

SCHEMBL216562

COc1ccc(N(C(=O)c2nc[nH]c2C(N)=O)c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.64
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MAPT P10636 5/20 0.41
KMT2A Q03164 3/20 0.41
PKM P14618 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 3/20 0.40
FAAH O00519 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DRD3 P35462 1/20 0.39
THRB P10828 1/20 0.38
STK33 Q9BYT3 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL216365 0.90 POLB (0.50) POLBNPC1RAB9AMAPTKMT2A
SCHEMBL216070 0.89 POLB (0.47) POLBNPC1RAB9AMAPTKMT2A
SCHEMBL216094 0.87 POLB (0.48) POLBNPC1RAB9AMAPTKMT2A
SCHEMBL214764 0.87 POLB (0.48) POLBNPC1RAB9AMAPTKMT2A
SCHEMBL214140 0.87 POLB (0.48) POLBNPC1RAB9AMAPTKMT2A
SCHEMBL213394 0.87 POLB (0.48) POLBNPC1RAB9AMAPTKMT2A
SCHEMBL214043 0.86 POLB (0.47) POLBNPC1RAB9AMAPTKMT2A
SCHEMBL215675 0.85 POLB (0.44) POLBNPC1RAB9AKMT2APKM
SCHEMBL213852 0.85 POLB (0.47) POLBNPC1RAB9AMAPTKMT2A
SCHEMBL214398 0.85 POLB (0.45) POLBNPC1RAB9AALDH1A1SMN1; 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 3464/4885NPC1 3307/4885RAB9A 2213/4885

“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.