SCHEMBL216648

SCHEMBL216648

Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc3ncccc3c2)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MAPT P10636 5/20 0.57
MEN1 O00255 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
NPC1 O15118 6/20 0.56
RAB9A P51151 5/20 0.56
POLB P06746 2/20 0.56
GAA P10253 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PABPC1 P11940 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
EPHX2 P34913 1/20 0.45
NOTUM Q6P988 1/20 0.45
BRAF P15056 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL216151 0.82 MAPT (0.58) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL2735284 0.82 MAPT (0.60) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL216597 0.77 MAPT (0.54) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL14222951 0.76 MAPT (0.67) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL14222699 0.76 MAPT (0.78) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL2759942 0.76 NPC1 (0.54) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL4105577 0.76 GAA (0.55) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL14222343 0.75 MAPT (0.50) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL214147 0.75 GAA (0.51) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL2735321 0.75 NPC1 (0.54) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1

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 13 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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
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
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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
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 KMT2A 437/4885MAPT 2138/4885MEN1 3504/4885

“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.