SCHEMBL213157

SCHEMBL213157

Cc1ccc(NC(=O)c2nc[nH]c2C(=O)NCc2ccccc2)c(C)c1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.80
ALDH1A1 P00352 5/20 0.80
KDM4E B2RXH2 3/20 0.80
MEN1 O00255 3/20 0.80
KMT2A Q03164 3/20 0.80
MAPK1 P28482 1/20 0.80
HTT P42858 1/20 0.80
HSD17B10 Q99714 1/20 0.80
GAA P10253 3/20 0.67
ALPL P05186 1/20 0.59
ALPI P09923 1/20 0.59
ALPG P10696 1/20 0.59
TDP1 Q9NUW8 1/20 0.54
NPSR1 Q6W5P4 2/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
S1PR4 O95977 2/20 0.51
POLB P06746 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL216711 0.89 ALDH1A1 (0.64) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL214875 0.87 ALDH1A1 (0.60) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2735324 0.83 ALDH1A1 (0.56) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL215672 0.81 MAPT (0.66) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL214010 0.80 ALDH1A1 (0.63) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4105577 0.79 GAA (0.55) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL214561 0.79 MAPT (0.51) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL214968 0.79 USP2 (0.60) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2735365 0.79 MAPT (0.51) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2735315 0.77 GAA (0.51) MAPTALDH1A1KDM4EMEN1KMT2A

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 10 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
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

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 2138/4885ALDH1A1 4295/4885KDM4E 952/4885

“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.