SCHEMBL216561

SCHEMBL216561

COc1ccc(NC(=O)c2ncn(-c3nc4ccccc4[nH]3)c2C(N)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ADORA3 P0DMS8 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
PKM P14618 2/20 0.47
CDK2 P24941 1/20 0.47
FLT3 P36888 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
COMT P21964 1/20 0.45
FAAH O00519 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL216364 0.90 NTRK1 (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL216069 0.89 MPO (0.47) MAPTMEN1KMT2AADORA3ALDH1A1
SCHEMBL213393 0.87 MAPT (0.46) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL214763 0.87 NTRK1 (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL216093 0.87 MAPT (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL214139 0.87 MAPT (0.49) MAPTMEN1KMT2ATDP1NPC1
SCHEMBL213851 0.86 L3MBTL1 (0.46) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL214042 0.86 MAPT (0.43) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL213716 0.85 MAPT (0.44) MAPTPOLBFLT3SMN1; SMN2
SCHEMBL215674 0.85 LMNA (0.47) MAPTKMT2ATDP1POLBNPC1

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 MAPT 2138/4885MEN1 3504/4885KMT2A 437/4885

“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.