SCHEMBL214762

SCHEMBL214762

COc1cccc2[nH]c(NC(=O)c3[nH]cnc3C(=O)Nc3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3C)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
MAPT P10636 5/20 0.43
NPSR1 Q6W5P4 4/20 0.43
TOP2A P11388 1/20 0.42
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 4/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAOB P27338 1/20 0.40
ADORA2A P29274 1/20 0.40
MAPK1 P28482 3/20 0.39
POLB P06746 2/20 0.39
GPR55 Q9Y2T6 1/20 0.39
ATM Q13315 1/20 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
SCHEMBL215816 0.89 ALPL (0.45) ALPLALPIALPGMAPTNPSR1
SCHEMBL216702 0.89 ALPL (0.45) ALPLALPIALPGMAPTNPSR1
SCHEMBL2735373 0.87 ALDH1A1 (0.47) MAPTTOP2AKMT2AALDH1A1MEN1
SCHEMBL213560 0.85 CHEK2 (0.44) ALPLALPIALPGMAPTNPSR1
SCHEMBL2735443 0.85 TOP2A (0.45) ALPLALPIALPGMAPTNPSR1
SCHEMBL214427 0.84 MAPT (0.43) ALPLALPIALPGMAPTNPSR1
SCHEMBL216823 0.84 ALPL (0.45) ALPLALPIALPGMAPTNPSR1
SCHEMBL214565 0.82 ALPL (0.45) ALPLALPIALPGMAPTNPSR1
SCHEMBL213682 0.82 KMT2A (0.42) ALPLALPIALPGMAPTNPSR1
SCHEMBL2735400 0.82 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 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 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.