SCHEMBL214524

SCHEMBL214524

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
MAPT P10636 6/20 0.34
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 3/20 0.34
HTT P42858 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGDR Q13258 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CCR5 P51681 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
BRAF P15056 2/20 0.34
KCNH2 Q12809 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33

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
SCHEMBL214921 0.90 KCNH2 (0.42) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL215773 0.89 GAA (0.36) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL214890 0.89 KMT2A (0.42) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL3988304 0.88 KDM4E (0.41) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL214507 0.88 GAA (0.38) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL214520 0.88 CCR5 (0.40) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL214178 0.88 MAPT (0.41) GAAMAPTKDM4EALDH1A1KMT2A
Hydrochloric Acid SCHEMBL215305 0.88 GAA (0.38) GAAMAPTKDM4EALDH1A1KMT2A
Acetic Acid SCHEMBL214840 0.87 GAA (0.35) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL215316 0.85 BRAF (0.38) GAABRAF

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
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 GAA 2375/4885MAPT 2138/4885KDM4E 952/4885

“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.