SCHEMBL5894098

SCHEMBL5894098

CC(C)COC(=O)c1ccc2c(c1)C(=CN(C)C)C(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AURKA O14965 1/20 0.45
RAF1 P04049 1/20 0.45
JAK3 P52333 2/20 0.43
GAPDH P04406 1/20 0.41
HSPA1A P0DMV8 1/20 0.41
PTPN7 P35236 1/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
TLK2 Q86UE8 7/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NEK2 P51955 1/20 0.41
PAK4 O96013 1/20 0.40
HSP90AA1 P07900 1/20 0.39
CCNB2 O95067 1/20 0.39

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
SCHEMBL5894092 1.00 PDPK1 (0.46) PDPK1SMN1; SMN2AURKARAF1JAK3
SCHEMBL5894451 0.83 PDPK1 (0.63) PDPK1SMN1; SMN2AURKARAF1JAK3
SCHEMBL5894610 0.83 PDPK1 (0.63) PDPK1SMN1; SMN2AURKARAF1JAK3
Gw416981X SCHEMBL5425650 0.76 CDK1 (0.45) PDPK1AURKARAF1MEN1KMT2A
Gw416981X SCHEMBL5425654 0.76 CDK1 (0.45) PDPK1AURKARAF1MEN1KMT2A
Gw416981X SCHEMBL14040791 0.76 CDK1 (0.45) PDPK1AURKARAF1MEN1KMT2A
SCHEMBL5893824 0.69 SMYD3 (0.51) GAPDHHSPA1APTPN7
SCHEMBL10398623 0.69 ALDH1A1 (0.62) PDPK1SMN1; SMN2AURKAJAK3TLK2
SCHEMBL10398625 0.69 ALDH1A1 (0.62) PDPK1SMN1; SMN2AURKAJAK3TLK2
SCHEMBL10399722 0.69 TGM2 (0.64) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105529-B2 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION (US) 2006-09-12 US disclosed
EP-1009738-B1 SUBSTITUTED OXINDOLE DERIVATIVES AS PROTEIN TYROSINE KINASE AND AS PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2004-05-19 EP disclosed
US-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION 2003-04-10 US disclosed
US-6541503-B2 Preventing chemotherapy induced alopecia. SMITHKLINE BEECHAM CORPORATION 2003-04-01 US disclosed
US-20030004351-A1 Substituted oxindole derivatives as protein tyrosine kinase and as protein serine/threonine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2003-01-02 US disclosed
US-6387919-B1 Substituted oxindole derivatives as protein tyrosine kinase and as protein serine/threonine kinase inhibitors GLAXO WELLCOME INC. 2002-05-14 US disclosed
US-6369086-B1 Substituted oxidole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2002-04-09 US disclosed
EP-1009738-A1 SUBSTITUTED OXINDOLE DERIVATIVES AS PROTEIN TYROSINE KINASE AND AS PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-06-21 EP disclosed
WO-1999015500-A1 SUBSTITUTED OXINDOLE DERIVATIVES AS PROTEIN TYROSINE KINASE AND AS PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-04-01 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 (2 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-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SRC, CDK2, CDK1 PDPK1 390/4885SMN1; SMN2 4631/4885AURKA 653/4885
US-20030004351-A1 Substituted oxindole derivatives as protein tyrosine kinase and as protein serine/threonine kinase inhibitors CDK2, CDK1, CCNI PDPK1 352/4885SMN1; SMN2 4749/4885AURKA 495/4885

“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.