SCHEMBL214941

SCHEMBL214941

CCN(CC)CCOc1ccc2[nH]c(NC(=O)c3[nH]cnc3C(=O)Nc3cc(Br)ccc3C)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.38
MEN1 O00255 3/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.37
HIF1A Q16665 1/20 0.37
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ACHE P22303 1/20 0.36
LCK P06239 3/20 0.35
CYP1A2 P05177 1/20 0.35
CHEK1 O14757 1/20 0.35
MAP4K4 O95819 1/20 0.35

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 0.92 ALDH1A1 (0.41) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL4097621 0.87 MAPT (0.43) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL215715 0.86 LMNA (0.43) HDAC6ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL2735354 0.86 MAPT (0.44) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL214362 0.85 GAA (0.47) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL4100776 0.85 KMT2A (0.44) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL216099 0.85 MAPT (0.39) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL213924 0.85 ALDH1A1 (0.40) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL213711 0.84 ALDH1A1 (0.38) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL213821 0.84 HRH4 (0.42) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E

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 10 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
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 HDAC6 624/4885ALDH1A1 4295/4885MAPT 2138/4885

“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.