SCHEMBL216823

SCHEMBL216823

Cc1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1NC(=O)c1[nH]cnc1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
MAPT P10636 6/20 0.45
NPSR1 Q6W5P4 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
MAPK1 P28482 4/20 0.43
POLB P06746 3/20 0.43
GPR55 Q9Y2T6 1/20 0.43
CHEK2 O96017 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TOP2A P11388 1/20 0.42
NTSR1 P30989 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL216702 0.94 ALPL (0.45) ALPLALPIALPGMAPTNPSR1
SCHEMBL215816 0.94 ALPL (0.45) ALPLALPIALPGMAPTNPSR1
SCHEMBL216739 0.93 KMT2A (0.42) ALPLALPIALPGMAPTNPSR1
SCHEMBL214565 0.92 ALPL (0.45) ALPLALPIALPGMAPTNPSR1
SCHEMBL216022 0.90 CHEK2 (0.46) ALPLALPIALPGMAPTNPSR1
SCHEMBL214456 0.90 CHEK2 (0.44) ALPLALPIALPGMAPTNPSR1
SCHEMBL215718 0.89 MAPT (0.52) ALPLALPIALPGMAPTNPSR1
SCHEMBL3990647 0.89 KMT2A (0.40) MAPTNPSR1L3MBTL1KMT2AMEN1
SCHEMBL213682 0.87 KMT2A (0.42) ALPLALPIALPGMAPTNPSR1
SCHEMBL2735400 0.87 KMT2A (0.42) ALPLALPIALPGMAPTNPSR1

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 ALPL 4363/4885ALPI 4420/4885ALPG 4494/4885

“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.