SCHEMBL215715

SCHEMBL215715

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccc(OCCN(C)C)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
ACHE P22303 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.38
KDR P35968 1/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL2735426 0.94 ALDH1A1 (0.41) LMNAMAPK1HIF1AMAPTALDH1A1
SCHEMBL215366 0.87 LMNA (0.43) LMNAMAPK1HIF1AMAPTALDH1A1
SCHEMBL2735463 0.87 GAA (0.47) LMNAMAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL215871 0.87 LMNA (0.43) LMNAMAPK1HIF1AMAPTALDH1A1
SCHEMBL3327359 0.87 LMNA (0.43) LMNAMAPK1HIF1AMAPTALDH1A1
SCHEMBL214941 0.86 HDAC6 (0.41) LMNAMAPK1HIF1AMAPTALDH1A1
SCHEMBL216217 0.85 ALDH1A1 (0.42) LMNAMAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL217150 0.84 LMNA (0.50) LMNAMAPK1HIF1ASMN1; SMN2RAF1
SCHEMBL2735461 0.83 GAA (0.43) LMNAMAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL2735449 0.82 ALDH1A1 (0.41) LMNAMAPK1HIF1AMAPTALDH1A1

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 9 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
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 LMNA 4821/4885MAPK1 354/4885HIF1A 2098/4885

“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.