SCHEMBL214621

SCHEMBL214621

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2cc(OCC3CCNCC3)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPT P10636 5/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
GAA P10253 2/20 0.38
CHEK2 O96017 1/20 0.37
KDM1A O60341 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 3/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 2/20 0.34
CYP1A2 P05177 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34

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
Hydrochloric Acid SCHEMBL216278 0.99 ALDH1A1 (0.39) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL14222346 0.93 ALDH1A1 (0.40) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL214375 0.91 ALDH1A1 (0.39) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL214583 0.91 ALDH1A1 (0.39) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL214824 0.90 ALDH1A1 (0.41) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL215292 0.90 MAPT (0.37) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL213801 0.90 ALDH1A1 (0.40) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL214815 0.88 MAPT (0.41) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL215296 0.88 MAPT (0.40) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL214382 0.87 ALDH1A1 (0.46) 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
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

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 ALDH1A1 4295/4885MAPT 2138/4885KMT2A 437/4885

“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.