SCHEMBL215773

SCHEMBL215773

CCCCCN1CCN(c2ccc3[nH]c(NC(=O)c4[nH]cnc4C(=O)Nc4cc(Br)ccc4C)nc3c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 1/20 0.34
DRD2 P14416 3/20 0.34
DRD4 P21917 3/20 0.34
DRD3 P35462 2/20 0.34
XBP1 P17861 1/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KCNH2 Q12809 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 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
Acetic Acid SCHEMBL214840 0.98 GAA (0.35) GAAAURKAAURKBALDH1A1LMNA
SCHEMBL14222347 0.92 GAA (0.36) GAAAURKAAURKBALDH1A1LMNA
SCHEMBL214921 0.90 KCNH2 (0.42) GAAAURKAALDH1A1LMNAKMT2A
SCHEMBL214178 0.89 MAPT (0.41) GAAALDH1A1LMNAKMT2AKDM4E
SCHEMBL214524 0.89 GAA (0.37) GAAALDH1A1LMNAKMT2AKDM4E
SCHEMBL215150 0.88 MAPT (0.39) GAAALDH1A1LMNAKMT2AKDM4E
SCHEMBL214890 0.88 KMT2A (0.42) GAAALDH1A1DRD4KMT2AKDM4E
SCHEMBL3988304 0.87 KDM4E (0.41) GAAALDH1A1LMNAKMT2AKDM4E
SCHEMBL214507 0.87 GAA (0.38) GAAALDH1A1LMNAKMT2AKDM4E
SCHEMBL214520 0.87 CCR5 (0.40) GAAALDH1A1DRD4KMT2AKDM4E

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 GAA 2375/4885AURKA 659/4885AURKB 621/4885

“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.