SCHEMBL213924

SCHEMBL213924

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2cc(OCCCN3CCCCC3)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HRH4 Q9H3N8 2/20 0.40
DHODH Q02127 1/20 0.39
MAPT P10636 2/20 0.39
CHEK2 O96017 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIR O00625 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
GAA P10253 1/20 0.37
MET P08581 2/20 0.37
PDGFRB P09619 1/20 0.37
FLT3 P36888 1/20 0.37
PARP1 P09874 1/20 0.37
LMNA P02545 1/20 0.37
MAOB P27338 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
SCHEMBL213821 0.95 HRH4 (0.42) ALDH1A1KDM4EKMT2AHRH4MAPT
SCHEMBL213685 0.94 ALDH1A1 (0.38) ALDH1A1KDM4EKMT2AMEN1HRH4
SCHEMBL213244 0.94 ALDH1A1 (0.38) ALDH1A1KDM4EKMT2AMEN1HRH4
Hydrochloric Acid SCHEMBL213175 0.94 ITGB3 (0.38) ALDH1A1KDM4EKMT2AHRH4MAPT
SCHEMBL214630 0.94 HRH3 (0.40) ALDH1A1KDM4EKMT2ADHODHMAPT
SCHEMBL3327359 0.94 LMNA (0.43) ALDH1A1KDM4EKMT2AMEN1HRH4
SCHEMBL215871 0.94 LMNA (0.43) ALDH1A1KDM4EKMT2AMEN1HRH4
SCHEMBL216099 0.91 MAPT (0.39) ALDH1A1KDM4EKMT2AHRH4MAPT
SCHEMBL213711 0.91 ALDH1A1 (0.38) ALDH1A1KDM4EKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL213385 0.90 MAPT (0.38) ALDH1A1KDM4EKMT2AMEN1MAPT

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 6 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 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
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 ALDH1A1 4295/4885KDM4E 952/4885KMT2A 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.