SCHEMBL1895667

SCHEMBL1895667

CC(C)OC1CN(c2ccc(Nc3ncc(Cl)c(Nc4ccc(C(C)NS(=O)(=O)C5CC5)cc4)n3)cc2)CC(OC(C)C)O1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.49
ALK Q9UM73 2/20 0.44
PTK2 Q05397 2/20 0.43
CCNK O75909 1/20 0.42
CCND3 P30281 1/20 0.42
CDK9 P50750 1/20 0.42
CDK6 Q00534 1/20 0.42
LRRK2 Q5S007 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL1885643 0.83 BRD4 (0.70) BRD4ALKPTK2CCNKCCND3
SCHEMBL1883224 0.76 BRD4 (0.61) BRD4ALKCCNKCCND3CDK9
SCHEMBL1885127 0.75 BRD4 (0.60) BRD4ALKCCNKCCND3CDK9
SCHEMBL1880046 0.72 ALK (0.54) BRD4ALKCCNKCCND3CDK9
SCHEMBL1878922 0.72 ALK (0.49) BRD4ALKPTK2CCNKCCND3
SCHEMBL1884694 0.71 BRD4 (0.49) BRD4ALKPTK2CCNKCCND3
SCHEMBL25068846 0.67 CDK9 (0.82) BRD4ALKPTK2CCNKCCND3
SCHEMBL18757714 0.66 BRD4 (1.00) BRD4ALK
SCHEMBL1606982 0.66 BRD4 (0.69) BRD4ALKCCNKCCND3CDK9
SCHEMBL1607402 0.66 JAK2 (0.52) BRD4ALKPTK2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-11-13 US claimed
US-7947698-B2 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-11-13 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 (1 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-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2500/4885ALK 707/4885PTK2 314/4885

“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.