SCHEMBL4156430

SCHEMBL4156430

COc1ccc2c(Nc3cccc(Cl)c3F)nc(OCCCN3CCOCC3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.61
▸ SRC P12931 11/20 0.53
▸ KCNH2 Q12809 2/20 0.53
▸ KDR P35968 11/20 0.52
▸ BRAF P15056 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ BCR P11274 1/20 0.47
▸ FGFR1 P11362 1/20 0.46
▸ FLT1 P17948 1/20 0.46
▸ FLT4 P35916 1/20 0.46

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
SCHEMBL5040071 0.85 EGFR (0.61) EGFRSRCKCNH2KDRBRAF
SCHEMBL14353338 0.83 EGFR (0.53) EGFRSRCKCNH2KDRFGFR1
SCHEMBL6365282 0.77 EGFR (0.47) EGFRSRCKCNH2KDRFGFR1
SCHEMBL4466493 0.76 EGFR (1.00) EGFRSRCKCNH2KDRBRAF
SCHEMBL4156436 0.75 ALDH1A1 (0.44) EGFRSRCKDRFGFR1FLT1
SCHEMBL3568126 0.73 EGFR (0.69) EGFRSRCKCNH2KDRBRAF
SCHEMBL6519244 0.72 KDR (0.59) EGFRKCNH2KDRFGFR1FLT1
SCHEMBL20355385 0.72 EGFR (0.60) EGFRSRCKCNH2KDRFLT1
SCHEMBL12474212 0.72 EGFR (0.64) EGFRSRCKCNH2KDRBRAF
SCHEMBL3740944 0.70 SRC (0.83) EGFRSRCKDR

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-8080573-B2 Heterocycle substituted amide and sulfur amide derivatives as histone deacetylase (hdac) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-12-20 — — US disclosed
US-20090156619-A1 Heterocycle Substituted Amide and Sulfur Amide Derivatives as Histone Deacetylase (HDAC) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 — — 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-20090156619-A1 Heterocycle Substituted Amide and Sulfur Amide Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC1, HDAC6, HDAC11 EGFR 2450/4885SRC 477/4885KCNH2 3779/4885

“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.

Send feedback