Sugi Predict

Sugi Predict / Compounds / SCHEMBL213788

SCHEMBL213788

SCHEMBL213788

Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2nc3cc(OCC4CCN(C(=O)OC(C)(C)C)CC4)ccc3[nH]2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.44
▸ NPSR1 Q6W5P4 5/20 0.44
▸ TP53 P04637 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ CHEK2 O96017 1/20 0.43
▸ ALPL P05186 1/20 0.43
▸ ALPI P09923 1/20 0.43
▸ ALPG P10696 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ATM Q13315 1/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPK1 P28482 4/20 0.40
▸ POLB P06746 3/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.39
▸ NTSR1 P30989 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ TBK1 Q9UHD2 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
SCHEMBL2735418 0.95 CHEK2 (0.48) MAPTNPSR1TP53GAACHEK2
SCHEMBL4105071 0.90 USP2 (0.39) MAPTNPSR1TP53GAAL3MBTL1
SCHEMBL215916 0.90 NPSR1 (0.43) MAPTNPSR1CHEK2ALPLALPI
SCHEMBL215807 0.87 BACE1 (0.40) MAPTNPSR1TP53GAAALPL
SCHEMBL214815 0.87 MAPT (0.41) MAPTGAACHEK2L3MBTL1MEN1
Hydrochloric Acid SCHEMBL215296 0.86 MAPT (0.40) MAPTGAACHEK2L3MBTL1MEN1
SCHEMBL4259590 0.85 MAPT (0.38) MAPTGAAL3MBTL1MEN1KMT2A
SCHEMBL214427 0.85 MAPT (0.43) MAPTNPSR1TP53GAACHEK2
SCHEMBL2735440 0.84 CHEK2 (0.47) MAPTNPSR1CHEK2ALPLALPI
SCHEMBL10268069 0.84 CHEK2 (0.41) MAPTNPSR1GAACHEK2MEN1

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 MAPT 2138/4885NPSR1 4218/4885TP53 1743/4885

“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.