SCHEMBL216217

SCHEMBL216217

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2c(OCCN(C)C)cccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.42
LMNA P02545 1/20 0.40
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 4/20 0.39
MAOB P27338 1/20 0.39
ADORA2A P29274 1/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DYRK3 O43781 1/20 0.36
MAP4K4 O95819 1/20 0.36
PIM1 P11309 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
SCHEMBL214499 0.96 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1HPGDGAA
SCHEMBL2735451 0.91 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HPGDGAA
SCHEMBL2735446 0.90 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1HPGDGAA
SCHEMBL2735439 0.88 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1HPGDGAA
SCHEMBL2735361 0.88 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1HPGDGAA
SCHEMBL2735432 0.88 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1HPGDGAA
SCHEMBL2735442 0.85 MAPT (0.45) ALDH1A1KMT2AMEN1HPGDGAA
SCHEMBL2735444 0.85 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1HPGDGAA
SCHEMBL2735426 0.85 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1HPGDGAA
SCHEMBL215715 0.85 LMNA (0.43) ALDH1A1KMT2AMEN1HPGDGAA

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 ALDH1A1 4295/4885KMT2A 437/4885MEN1 3504/4885

“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.