SCHEMBL215907

SCHEMBL215907

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.44
ATM Q13315 1/20 0.43
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
P2RX7 Q99572 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KIT P10721 1/20 0.37

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
SCHEMBL3988304 0.90 KDM4E (0.41) MAPTMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL2735453 0.89 ATM (0.40) BACE1ATMALPLALPIALPG
SCHEMBL214921 0.88 KCNH2 (0.42) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL214507 0.87 GAA (0.38) BACE1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL214594 0.87 ATM (0.41) BACE1ATMALPLALPIALPG
Hydrochloric Acid SCHEMBL215305 0.86 GAA (0.38) BACE1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL216125 0.86 ATM (0.41) BACE1ATMALPLALPIALPG
SCHEMBL215034 0.85 ATM (0.44) BACE1ATMALPLALPIALPG
SCHEMBL214524 0.84 GAA (0.37) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13300426 0.84 NPSR1 (0.45) BACE1ATMALPLALPIALPG

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 12 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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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
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
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 4486/4885ATM 764/4885ALPL 4363/4885

“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.