SCHEMBL4087589

SCHEMBL4087589

Nc1ccc(Cl)c(Nc2nccc(-c3cccnc3)n2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.75
BCR P11274 12/20 0.75
EGFR P00533 3/20 0.67
SRC P12931 3/20 0.67
PRKACA P17612 1/20 0.67
PRKACG P22612 1/20 0.67
PRKACB P22694 1/20 0.67
PDGFRB P09619 3/20 0.63
PDGFRA P16234 3/20 0.63
PRKCA P17252 6/20 0.60
PRKCD Q05655 3/20 0.60
ABL2 P42684 1/20 0.55
CAMK2D Q13557 1/20 0.53
PRKD3 O94806 1/20 0.51
PRKCG P05129 1/20 0.51
PRKCB P05771 1/20 0.51
LCK P06239 1/20 0.51
PRKCH P24723 1/20 0.51
PRKCI P41743 1/20 0.51
ZAP70 P43403 1/20 0.51

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
SCHEMBL29366999 0.86 ABL1 (1.00) ABL1BCREGFRSRCPRKACA
SCHEMBL2392 0.86 ABL1 (1.00) ABL1BCREGFRSRCPRKACA
SCHEMBL29555505 0.86 ABL1 (1.00) ABL1BCREGFRSRCPRKACA
Ammonia Solution, Strong SCHEMBL4749564 0.85 ABL1 (0.98) ABL1BCREGFRSRCPRKACA
Hydrochloric Acid SCHEMBL2419016 0.85 ABL1 (0.98) ABL1BCREGFRSRCPRKACA
SCHEMBL4080335 0.84 PRKCA (0.78) ABL1BCREGFRSRCPRKACA
SCHEMBL3860532 0.83 ABL1 (0.83) ABL1BCREGFRSRCPRKACA
SCHEMBL4382247 0.83 PDGFRB (0.71) ABL1BCREGFRSRCPDGFRB
SCHEMBL3869178 0.83 ABL1 (0.74) ABL1BCREGFRSRCPRKACA
SCHEMBL3051320 0.83 ABL1 (0.71) ABL1BCREGFRSRCPRKACA

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 ABL1 783/4885BCR 862/4885EGFR 1304/4885

“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.