Sugi Predict

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SCHEMBL214235

SCHEMBL214235

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ ADORA2B P29275 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ GAA P10253 2/20 0.45
▸ ALDH1A1 P00352 7/20 0.44
▸ KMT2A Q03164 7/20 0.44
▸ MEN1 O00255 6/20 0.44
▸ MAPT P10636 6/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL2735361 0.88 ALDH1A1 (0.53) MAOBADORA2AGAAALDH1A1KMT2A
SCHEMBL2735432 0.88 ALDH1A1 (0.53) MAOBADORA2AGAAALDH1A1KMT2A
SCHEMBL2735460 0.87 GAA (0.45) GAAALDH1A1KMT2AMEN1MAPT
SCHEMBL215375 0.86 GAA (0.44) GAAALDH1A1KMT2AMEN1MAPT
SCHEMBL2735331 0.86 RAB9A (0.52) MAOBADORA2AGAAALDH1A1KMT2A
SCHEMBL2735446 0.86 ALDH1A1 (0.55) MAOBADORA2AGAAALDH1A1KMT2A
SCHEMBL2735451 0.85 ALDH1A1 (0.46) MAOBADORA2AGAAALDH1A1KMT2A
SCHEMBL2735439 0.85 ALDH1A1 (0.44) MAOBADORA2AGAAALDH1A1KMT2A
SCHEMBL2735463 0.84 GAA (0.47) GAAALDH1A1KMT2AMEN1MAPT
SCHEMBL214362 0.84 GAA (0.47) GAAALDH1A1KMT2AMEN1MAPT

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 MAOB 3387/4885ADORA2A 1356/4885ADORA2B 1764/4885

“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.