SCHEMBL4080335

SCHEMBL4080335

CNc1ccc(Cl)c(Nc2nccc(-c3cccnc3)n2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 6/20 0.78
PDGFRB P09619 5/20 0.70
PDGFRA P16234 5/20 0.70
ABL1 P00519 13/20 0.61
BCR P11274 11/20 0.61
PRKCD Q05655 3/20 0.61
BRAF P15056 1/20 0.58
MAPK14 Q16539 1/20 0.58
EGFR P00533 4/20 0.58
JAK3 P52333 1/20 0.56
BTK Q06187 1/20 0.56
ITK Q08881 1/20 0.56
SRC P12931 1/20 0.55
PRKACA P17612 1/20 0.55
PRKACG P22612 1/20 0.55
PRKACB P22694 1/20 0.55
PRKD3 O94806 1/20 0.55
PRKCG P05129 1/20 0.55
PRKCB P05771 1/20 0.55
LCK P06239 1/20 0.55

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
SCHEMBL15159937 0.87 PRKCA (1.00) PRKCAPDGFRBPDGFRAABL1BCR
SCHEMBL4087589 0.84 ABL1 (0.75) PRKCAPDGFRBPDGFRAABL1BCR
SCHEMBL4084867 0.83 ABL1 (0.77) PRKCAPDGFRBPDGFRAABL1BCR
SCHEMBL4382247 0.81 PDGFRB (0.71) PRKCAPDGFRBPDGFRAABL1BCR
SCHEMBL7471161 0.80 ABL1 (0.68) PRKCAPDGFRBPDGFRAABL1BCR
SCHEMBL18814452 0.77 PRKCA (0.81) PRKCAPDGFRBPDGFRAABL1BCR
SCHEMBL4084979 0.77 PDGFRB (0.82) PRKCAPDGFRBPDGFRAABL1BCR
SCHEMBL10914951 0.77 ABL1 (0.68) PRKCAPDGFRBPDGFRAABL1BCR
SCHEMBL29855980 0.77 ABL1 (0.63) PRKCAPDGFRBPDGFRAABL1BCR
SCHEMBL28401628 0.77 ABL1 (0.63) PRKCAPDGFRBPDGFRAABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 US disclosed
EP-2060565-A1 Novel bifunctional compounds which inhibit protein kinases and histone deacetylases 4SC AG (DE) 2009-05-20 EP 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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES HDAC1, HDAC11, MAP2K2 PRKCA 201/4885PDGFRB 2334/4885PDGFRA 2510/4885

“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.