SCHEMBL213406

SCHEMBL213406

Cc1ccc(Br)cc1NC(=O)c1[nH]cnc1C(=O)Nc1nc2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.44
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
BACE1 P56817 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 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
NTSR1 P30989 1/20 0.38

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
SCHEMBL2735443 0.91 TOP2A (0.45) TOP2AALPLALPIALPGMAPT
SCHEMBL216162 0.90 ALDH1A1 (0.39) MAPTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3984920 0.89 IDO1 (0.35) TOP2AMAPTNPSR1L3MBTL1MEN1
SCHEMBL215859 0.87 TOP2A (0.42) TOP2AMAPTMEN1KMT2AALDH1A1
SCHEMBL2735383 0.87 TOP2A (0.42) TOP2AMAPTMEN1KMT2AALDH1A1
SCHEMBL216022 0.87 CHEK2 (0.46) TOP2AALPLALPIALPGMAPT
SCHEMBL216823 0.83 ALPL (0.45) TOP2AALPLALPIALPGMAPT
SCHEMBL13300431 0.83 TOP2A (0.40) TOP2AMAPTMEN1KMT2AALDH1A1
SCHEMBL2735380 0.83 MAPT (0.44) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL215907 0.81 BACE1 (0.44) 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 4 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-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 TOP2A 1957/4885ALPL 4363/4885ALPI 4420/4885

“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.