SCHEMBL215807

SCHEMBL215807

Cc1ccc(NC(=O)c2[nH]cnc2C(=O)Nc2nc3cc(OC4CN(C(=O)OC(C)(C)C)C4)ccc3[nH]2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.40
MAPT P10636 7/20 0.39
TP53 P04637 3/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
XBP1 P17861 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL2735400 0.91 KMT2A (0.42) BACE1MAPTALPLALPIALPG
SCHEMBL213682 0.91 KMT2A (0.42) BACE1MAPTALPLALPIALPG
SCHEMBL4100058 0.88 USP2 (0.39) MAPTNPSR1GAAKDM4EALDH1A1
SCHEMBL213788 0.87 MAPT (0.44) MAPTTP53ALPLALPIALPG
SCHEMBL216739 0.86 KMT2A (0.42) BACE1MAPTALPLALPIALPG
SCHEMBL215789 0.86 KMT2A (0.43) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL214427 0.84 MAPT (0.43) MAPTTP53ALPLALPIALPG
SCHEMBL215816 0.84 ALPL (0.45) MAPTALPLALPIALPGNPSR1
SCHEMBL216702 0.84 ALPL (0.45) MAPTALPLALPIALPGNPSR1
SCHEMBL2735418 0.82 CHEK2 (0.48) MAPTTP53ALPLALPIALPG

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-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
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 BACE1 4486/4885MAPT 2138/4885TP53 1743/4885

“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.