Sugi Predict

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SCHEMBL215375

SCHEMBL215375

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2cc(Cl)c(Cl)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.44
▸ KMT2A Q03164 7/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ MAPT P10636 6/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MEN1 O00255 6/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ RAB9A P51151 2/20 0.37
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GRIA1 P42261 1/20 0.37
▸ GRIA2 P42262 1/20 0.37
▸ GRIA3 P42263 1/20 0.37
▸ GRIA4 P48058 1/20 0.37

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
SCHEMBL2735463 0.91 GAA (0.47) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL214362 0.91 GAA (0.47) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL214927 0.90 GAA (0.43) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL215846 0.89 GAA (0.44) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL2735331 0.87 RAB9A (0.52) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL214518 0.86 GAA (0.43) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL214235 0.86 MAOB (0.48) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL2735461 0.86 GAA (0.43) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL2735460 0.86 GAA (0.45) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL2735441 0.84 MMP2 (0.46) GAAKMT2AALDH1A1MAPTKDM4E

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 8 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-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 2375/4885KMT2A 437/4885ALDH1A1 4295/4885

“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.