SCHEMBL5894604

SCHEMBL5894604

Cc1cc(=O)[nH]n1-c1ccc(N/C=C2\C(=O)Nc3ccc4ncsc4c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 1/20 0.44
TLK2 Q86UE8 1/20 0.44
NEK7 Q8TDX7 1/20 0.44
NEK6 Q9HC98 1/20 0.44
DYRK3 O43781 1/20 0.30
CSNK1E P49674 1/20 0.30
CLK1 P49759 1/20 0.30
CLK2 P49760 1/20 0.30
CLK3 P49761 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
DYRK2 Q92630 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
DYRK4 Q9NR20 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL5425570 1.00 MAP3K11 (0.44) MAP3K11TLK2NEK7NEK6DYRK3
SCHEMBL5425576 1.00 MAP3K11 (0.44) MAP3K11TLK2NEK7NEK6DYRK3
SCHEMBL5873808 0.84 MAP3K11 (0.31) MAP3K11TLK2NEK7NEK6
SCHEMBL5873802 0.84 MAP3K11 (0.31) MAP3K11TLK2NEK7NEK6
SCHEMBL5430107 0.82 CYP1A2 (0.33) CLK2GSK3BDYRK1ACLK4
SCHEMBL5430111 0.82 CYP1A2 (0.33) CLK2GSK3BDYRK1ACLK4
SCHEMBL5215011 0.80 MAP3K11 (0.30) MAP3K11TLK2NEK7NEK6
SCHEMBL5434451 0.79 MAP3K11 (0.53) MAP3K11TLK2NEK7NEK6GSK3B
SCHEMBL5434456 0.79 MAP3K11 (0.53) MAP3K11TLK2NEK7NEK6GSK3B
SCHEMBL5873752 0.79 MAP3K11 (0.53) MAP3K11TLK2NEK7NEK6GSK3B

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 7 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
US-6818632-B2 3-(anilinomethylene)oxindoles SMITHKLINE BEECHAM CORPORATION 2004-11-16 US 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-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-6369086-B1 Substituted oxidole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2002-04-09 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-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia PRKDC, PRKX, BMX MAP3K11 97/4885TLK2 311/4885NEK7 423/4885
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 MAP3K11 270/4885TLK2 241/4885NEK7 715/4885

“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.