Sugi Predict

Sugi Predict / Compounds / SCHEMBL213560

SCHEMBL213560

SCHEMBL213560

Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccc(Cl)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 0.44
▸ TOP2A P11388 1/20 0.44
▸ ALPL P05186 1/20 0.43
▸ ALPI P09923 1/20 0.43
▸ ALPG P10696 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ BACE1 P56817 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ ATM Q13315 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ GPR55 Q9Y2T6 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
SCHEMBL214456 0.93 CHEK2 (0.44) CHEK2TOP2AALPLALPIALPG
SCHEMBL216702 0.91 ALPL (0.45) CHEK2TOP2AALPLALPIALPG
SCHEMBL215816 0.91 ALPL (0.45) CHEK2TOP2AALPLALPIALPG
SCHEMBL4110599 0.91 HRH4 (0.42) MAPTMEN1KMT2AALDH1A1HRH4
SCHEMBL3991931 0.89 HRH4 (0.38) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL214565 0.87 ALPL (0.45) CHEK2TOP2AALPLALPIALPG
SCHEMBL2735370 0.87 KDM4E (0.41) CHEK2TOP2AMAPTKMT2AALDH1A1
SCHEMBL216022 0.87 CHEK2 (0.46) CHEK2TOP2AALPLALPIALPG
SCHEMBL214427 0.86 MAPT (0.43) CHEK2TOP2AALPLALPIALPG
SCHEMBL216823 0.86 ALPL (0.45) CHEK2TOP2AALPLALPIALPG

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 CHEK2 412/4885TOP2A 1957/4885ALPL 4363/4885

“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.