SCHEMBL213759

SCHEMBL213759

CC(C)c1cccc(NC(=O)c2ncn(-c3nc4ccccc4[nH]3)c2C(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.42
EGFR P00533 1/20 0.41
PIK3CA P42336 1/20 0.41
NOD1 Q9Y239 1/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
ATM Q13315 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
COMT P21964 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39

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
SCHEMBL215784 0.88 MPO (0.49) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL216364 0.86 NTRK1 (0.49) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL216069 0.83 MPO (0.47) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL216074 0.83 KDM4E (0.43) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL213707 0.82 BACE1 (0.44) KDM4EKMT2ANPC1RAB9APOLB
SCHEMBL217153 0.81 SOAT1 (0.40) MAPTKDM4EKMT2AMEN1MAPK1
SCHEMBL216561 0.81 MAPT (0.49) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL214714 0.79 MAPT (0.44) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL215132 0.79 CYP3A4 (0.44) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL214976 0.79 LCK (0.44) MAPTKDM4EKMT2AMEN1NPC1

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 FADS1 4668/4885EGFR 344/4885PIK3CA 192/4885

“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.