Sugi Predict

Sugi Predict / Compounds / SCHEMBL13524366

SCHEMBL13524366

SCHEMBL13524366

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)c(C)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 9/20 0.83
▸ TNF P01375 6/20 0.83
▸ DDR2 Q16832 3/20 0.83
▸ MAPK13 O15264 2/20 0.83
▸ MAPK12 P53778 2/20 0.83
▸ MAPK11 Q15759 2/20 0.83
▸ CIT O14578 1/20 0.83
▸ MUSK O15146 1/20 0.83
▸ MAP3K7 O43318 1/20 0.83
▸ RIPK2 O43353 1/20 0.83
▸ STK10 O94804 1/20 0.83
▸ MAP4K4 O95819 1/20 0.83
▸ CHEK2 O96017 1/20 0.83
▸ ABL1 P00519 1/20 0.83
▸ EGFR P00533 1/20 0.83
▸ RAF1 P04049 1/20 0.83
▸ NTRK1 P04629 1/20 0.83
▸ HSPB1 P04792 1/20 0.83
▸ PRKCB P05771 1/20 0.83
▸ LCK P06239 1/20 0.83

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
SCHEMBL6165712 0.94 MAPK14 (0.83) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL13652990 0.93 MAPK14 (0.82) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL5967530 0.93 MAPK14 (0.82) MAPK14TNFDDR2MAPK13MAPK12
Doramapimod SCHEMBL129721 0.91 MAPK14 (1.00) MAPK14TNFDDR2MAPK13MAPK12
Doramapimod SCHEMBL29353023 0.91 MAPK14 (1.00) MAPK14TNFDDR2MAPK13MAPK12
Doramapimod SCHEMBL10320344 0.90 MAPK14 (0.98) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL6330722 0.89 MAPK14 (1.00) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL28459889 0.89 MAPK14 (0.76) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL13524367 0.89 MAPK14 (0.87) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL29593532 0.88 MAPK14 (1.00) MAPK14TNFDDR2MAPK13MAPK12

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645747-B2 Improved pharmacokinetic properties, oral bioavailability; side effect reduction GILEAD SCIENCES, INC. (US) 2010-01-12 — — US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 — — US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 — — US disclosed
US-20070281907-A1 Kinase Inhibitor Phosphonate Conjugates GILEAD SCIENCES, INC. 2007-12-06 — — US 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 (3 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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES MAPK14 1268/4885TNF 2/4885DDR2 3498/4885
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB MAPK14 377/4885TNF 4553/4885DDR2 1069/4885
US-20070281907-A1 Kinase Inhibitor Phosphonate Conjugates PIK3CA, PNKP, PLK1 MAPK14 508/4885TNF 3875/4885DDR2 866/4885

“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.