SCHEMBL5873978

SCHEMBL5873978

O=C1Nc2ncc(-c3ccsc3)cc2/C1=C/Nc1ccc(I)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.37
JAK3 P52333 1/20 0.37
MAP3K11 Q16584 2/20 0.36
AXL P30530 1/20 0.35
CHEK2 O96017 5/20 0.34
CHEK1 O14757 1/20 0.34
MET P08581 1/20 0.34
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
EPHX2 P34913 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
STK10 O94804 1/20 0.33
SLK Q9H2G2 1/20 0.33
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
KDR P35968 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL5873979 1.00 CDK8 (0.37) CDK8JAK3MAP3K11AXLCHEK2
SCHEMBL5419132 0.86 IKBKB (0.41) JAK3MAP3K11CHEK2CHEK1MET
SCHEMBL5170979 0.86 IKBKB (0.41) JAK3MAP3K11CHEK2CHEK1MET
SCHEMBL5873916 0.85 JAK3 (0.43) CDK8JAK3MAP3K11AXLCHEK1
SCHEMBL5873915 0.85 JAK3 (0.43) CDK8JAK3MAP3K11AXLCHEK1
SCHEMBL7704861 0.84 MAP3K11 (0.40) JAK3MAP3K11AXLCHEK2CHEK1
SCHEMBL5873818 0.84 CHEK2 (0.35) JAK3MAP3K11AXLCHEK2CHEK1
SCHEMBL5873832 0.84 CHEK2 (0.35) JAK3MAP3K11AXLCHEK2CHEK1
SCHEMBL5425586 0.83 ALDH1A1 (0.37) JAK3MAP3K11AXLCHEK1MET
SCHEMBL5425589 0.83 ALDH1A1 (0.37) JAK3MAP3K11AXLCHEK1MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818632-B2 3-(anilinomethylene)oxindoles SMITHKLINE BEECHAM CORPORATION 2004-11-16 US claimed
US-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia GLENNON KIMBERLEY CAROLINE (US) 2002-07-25 US claimed
US-7129253-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-10-31 US disclosed
US-6818632-B2 3-(anilinomethylene)oxindoles SMITHKLINE BEECHAM CORPORATION 2004-11-16 US disclosed
US-20040191210-A1 Compounds GLENNON KIMBERLEY CAROLINE (US) 2004-09-30 US disclosed
US-6498176-B1 INHIBITING TUMOR GROWTH VIA INHIBITION OF TUMOR-RELATED ANGIOGENESIS SMITHKLINEBEECHAM CORPORATION 2002-12-24 US disclosed
US-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia GLENNON KIMBERLEY CAROLINE (US) 2002-07-25 US disclosed
US-6350747-B1 PROTEIN SERINE/THREONINE KINASE AND PROTEIN TYROSINE KINASE ENZYME INHIBITORS; ANGIOGENESIS INHIBITORS; ANTITUMOR AND ANTIPROLIFERATIVE AGENTS GLAXO WELLCOME INC. 2002-02-26 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 (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-20040191210-A1 Compounds CDK1, AKT1, RPS6KA1 CDK8 200/4885JAK3 439/4885MAP3K11 75/4885
US-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia PRKDC, PRKX, BMX CDK8 289/4885JAK3 173/4885MAP3K11 97/4885

“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.