SCHEMBL214869

SCHEMBL214869

COc1cccc(F)c1N(C(=O)c1nc[nH]c1C(N)=O)c1nc(C)c(C)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAP4K1 Q92918 1/20 0.33
MITF O75030 1/20 0.32
MAP2 P11137 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 2/20 0.31
MAPK10 P53779 2/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
STAT3 P40763 1/20 0.31
HTT P42858 1/20 0.31
ABL1 P00519 1/20 0.30
SRC P12931 1/20 0.30

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
SCHEMBL214035 0.86 POLB (0.41) MEN1KMT2AALDH1A1CYP1A2HPGD
SCHEMBL215675 0.79 POLB (0.44) MEN1KMT2AALDH1A1CYP1A2HPGD
SCHEMBL213499 0.78 POLB (0.42) MEN1KMT2AALDH1A1CYP1A2HPGD
SCHEMBL215133 0.75 POLB (0.38) MEN1KMT2AALDH1A1CYP1A2HPGD
SCHEMBL214434 0.72 POLB (0.35) MEN1KMT2AALDH1A1CYP1A2HPGD
SCHEMBL213713 0.72 NPC1 (0.38) MEN1KMT2AALDH1A1CYP1A2HPGD
SCHEMBL213659 0.70 CHEK2 (0.33) HPGDSMN1; SMN2HSD17B10
SCHEMBL214638 0.69 PARP1 (0.35) MEN1KMT2AALDH1A1CYP1A2HPGD
SCHEMBL2735316 0.67 KMT2A (0.53) MEN1KMT2AALDH1A1CYP1A2HPGD
SCHEMBL216562 0.66 POLB (0.64) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1

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 MEN1 3504/4885KMT2A 437/4885ALDH1A1 4295/4885

“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.