SCHEMBL5894451

SCHEMBL5894451

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.63
AURKA O14965 1/20 0.62
RAF1 P04049 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
JAK3 P52333 2/20 0.48
HSP90AA1 P07900 1/20 0.46
TLK2 Q86UE8 6/20 0.45
NPSR1 Q6W5P4 1/20 0.43
CCNB2 O95067 1/20 0.43

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
SCHEMBL5894610 1.00 PDPK1 (0.63) PDPK1AURKARAF1SMN1; SMN2ALDH1A1
SCHEMBL5894092 0.83 PDPK1 (0.46) PDPK1AURKARAF1SMN1; SMN2ALDH1A1
SCHEMBL5894098 0.83 PDPK1 (0.46) PDPK1AURKARAF1SMN1; SMN2ALDH1A1
SCHEMBL22380701 0.80 PDPK1 (0.57) PDPK1AURKARAF1ALDH1A1TGM2
SCHEMBL3052162 0.80 PDPK1 (0.58) PDPK1AURKARAF1PSEN1PSEN2
SCHEMBL12580695 0.79 AURKA (0.69) PDPK1AURKARAF1MEN1KMT2A
SCHEMBL1965178 0.79 AURKA (0.69) PDPK1AURKARAF1MEN1KMT2A
SCHEMBL5361523 0.78 PDPK1 (1.00) PDPK1JAK3TLK2CDK1CCNB1
SCHEMBL5728671 0.78 PDPK1 (1.00) PDPK1JAK3TLK2CDK1CCNB1
SCHEMBL12574267 0.77 PDPK1 (0.50) PDPK1AURKARAF1SMN1; SMN2ALDH1A1

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 390/4885AURKA 653/4885RAF1 126/4885
US-20030004351-A1 Substituted oxindole derivatives as protein tyrosine kinase and as protein serine/threonine kinase inhibitors CDK2, CDK1, CCNI PDPK1 352/4885AURKA 495/4885RAF1 105/4885

“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.