SCHEMBL214337

SCHEMBL214337

Cc1ccc(F)cc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.43
ESR1 P03372 1/20 0.43
MAPT P10636 12/20 0.42
ALDH1A1 P00352 6/20 0.42
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 4/20 0.42
HTT P42858 4/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 1/20 0.42
NTSR1 P30989 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 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
SCHEMBL216491 0.91 NTRK1 (0.47) NPSR1SMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL215893 0.89 MAPT (0.43) NPSR1SMN1; SMN2GAALMNAMAPT
SCHEMBL214938 0.89 MAPT (0.47) NPSR1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL214714 0.89 MAPT (0.44) NPSR1SMN1; SMN2GAAL3MBTL1LMNA
SCHEMBL214139 0.88 MAPT (0.49) NPSR1SMN1; SMN2GAALMNAMAPT
SCHEMBL217226 0.86 MEN1 (0.48) NPSR1SMN1; SMN2GAAL3MBTL1LMNA
SCHEMBL216732 0.85 GSK3B (0.40) NPSR1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL215595 0.84 ALDH1A1 (0.46) NPSR1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL213393 0.83 MAPT (0.46) NPSR1SMN1; SMN2GAALMNAMAPT
SCHEMBL215084 0.83 MAPT (0.43) NPSR1SMN1; SMN2GAAL3MBTL1MAPT

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 NPSR1 4218/4885SMN1; SMN2 2516/4885GAA 2375/4885

“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.