SCHEMBL5122452

SCHEMBL5122452

CCOCCOCCOCCOCCOCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)COC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.64
FBP1 P09467 3/20 0.59
KDR P35968 6/20 0.58
HDAC3 O15379 4/20 0.58
HDAC4 P56524 4/20 0.58
HDAC1 Q13547 4/20 0.58
HDAC7 Q8WUI4 4/20 0.58
HDAC2 Q92769 4/20 0.58
HDAC10 Q969S8 4/20 0.58
HDAC11 Q96DB2 4/20 0.58
HDAC8 Q9BY41 4/20 0.58
HDAC6 Q9UBN7 4/20 0.58
HDAC9 Q9UKV0 4/20 0.58
HDAC5 Q9UQL6 4/20 0.58
ERBB2 P04626 5/20 0.56
ERBB4 Q15303 2/20 0.56
KDM4E B2RXH2 1/20 0.54
GAK O14976 1/20 0.54
MAPK13 O15264 1/20 0.54
ABL1 P00519 1/20 0.54

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
SCHEMBL5112366 1.00 EGFR (0.64) EGFRFBP1KDRHDAC3HDAC4
SCHEMBL5108725 0.99 EGFR (0.65) EGFRFBP1KDRHDAC3HDAC4
SCHEMBL5113258 0.93 EGFR (0.63) EGFRFBP1KDRHDAC3HDAC4
SCHEMBL5122027 0.93 EGFR (0.63) EGFRFBP1KDRHDAC3HDAC4
SCHEMBL5122127 0.93 EGFR (0.63) EGFRFBP1KDRHDAC3HDAC4
SCHEMBL5115923 0.91 EGFR (0.61) EGFRFBP1KDRHDAC3HDAC4
SCHEMBL5117581 0.90 EGFR (0.64) EGFRFBP1HDAC3HDAC4HDAC1
SCHEMBL5122158 0.90 EGFR (0.64) EGFRFBP1HDAC3HDAC4HDAC1
SCHEMBL5122677 0.90 EGFR (0.61) EGFRFBP1KDRHDAC3HDAC4
SCHEMBL5110081 0.89 EGFR (0.65) EGFRFBP1HDAC3HDAC4HDAC1

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-8461166-B2 Anilinoquinazolinyl amide derivatives; radiolabels as bioprobes for Positron Emission Tomography and Single Photon Emission Computed Tomography, and as radiopharmaceuticals for radiotherapy; improved solubility, bioavailability, biostability HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2013-06-11 US disclosed
US-20080056990-A1 Polyalkylene glycol derivatives of inhibitors of epidermal growth factor receptor tyrosine kinase T.K. SIGNAL LTD. (IL) 2008-03-06 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-20080056990-A1 Polyalkylene glycol derivatives of inhibitors of epidermal growth factor receptor tyrosine kinase EGFR, TK1, ERBB2 EGFR 1/4885FBP1 1341/4885KDR 8/4885

“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.