SCHEMBL5112759

SCHEMBL5112759

CCOCCOCCOCCOc1[c]cc2c(Nc3cccc(I)c3)nc(C(N)=O)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
TP53 P04637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SYK P43405 2/20 0.39
FBP1 P09467 1/20 0.39
EGFR P00533 8/20 0.38
ERBB2 P04626 2/20 0.38
ERBB4 Q15303 1/20 0.38
CSNK2A1 P68400 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
AURKB Q96GD4 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL5123062 0.99 MAPT (0.40) MAPTTP53L3MBTL1SYKFBP1
SCHEMBL4968843 0.92 CSNK2A1 (0.36) MAPTTP53L3MBTL1SYKFBP1
SCHEMBL4969531 0.92 CSNK2A1 (0.36) MAPTTP53L3MBTL1SYKFBP1
SCHEMBL5122474 0.90 MAPT (0.40) MAPTTP53L3MBTL1SYKFBP1
SCHEMBL4968835 0.81 SYK (0.40) SYKFBP1EGFRERBB2CSNK2A1
SCHEMBL4966654 0.81 SYK (0.40) SYKFBP1EGFRERBB2CSNK2A1
SCHEMBL5116667 0.78 EGFR (0.37) EGFRERBB2MEN1KMT2A
SCHEMBL5123489 0.77 EGFR (0.38) EGFRERBB2MEN1KMT2A
SCHEMBL26349 0.74 EGFR (0.44) FBP1EGFRERBB2ERBB4CSNK2A1
SCHEMBL26636 0.74 EGFR (0.47) FBP1EGFRERBB2ERBB4CSNK2A1

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 MAPT 2460/4885TP53 93/4885L3MBTL1 2905/4885

“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.