SCHEMBL4968843

SCHEMBL4968843

NC(=O)c1nc(Nc2cccc(I)c2)c2c[c]c(OCCOCCOCCOCCF)cc2n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.36
CSNK2A2 P19784 2/20 0.35
CSNK2B P67870 2/20 0.35
CSNK2A3 Q8NEV1 2/20 0.35
CLK2 P49760 1/20 0.35
EGFR P00533 9/20 0.35
MAPT P10636 3/20 0.35
SYK P43405 2/20 0.35
TP53 P04637 2/20 0.35
AURKB Q96GD4 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FBP1 P09467 1/20 0.33
ERBB2 P04626 1/20 0.33
ERBB4 Q15303 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL4969531 1.00 CSNK2A1 (0.36) CSNK2A1CSNK2A2CSNK2BCSNK2A3CLK2
SCHEMBL5112759 0.92 MAPT (0.40) CSNK2A1EGFRMAPTSYKTP53
SCHEMBL5123062 0.91 MAPT (0.40) CSNK2A1EGFRMAPTSYKTP53
SCHEMBL4968835 0.90 SYK (0.40) CSNK2A1CSNK2A2CSNK2BCSNK2A3CLK2
SCHEMBL4966654 0.90 SYK (0.40) CSNK2A1CSNK2A2CSNK2BCSNK2A3CLK2
SCHEMBL5122474 0.81 MAPT (0.40) EGFRMAPTSYKTP53ABCG2
SCHEMBL5108932 0.79 EGFR (0.35) EGFRERBB2
SCHEMBL27067 0.78 EGFR (0.43) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL4865132 0.73 AURKA (0.52) EGFRERBB2ERBB4
SCHEMBL4865572 0.73 EGFR (0.42) CSNK2A1EGFRERBB2ERBB4

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 4 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
EP-1957468-A2 POLYALKYLENE GLYCOL DERIVATIVES OF 4 - (PHENYLAMINO)QUINAZOLINES USEFUL AS IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE T.K. Signal Ltd. (IL) 2008-08-20 EP 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
WO-2007029251-A2 POLYALKYLENE GLYCOL DERIVATIVES OF 4- (PHENYLAMINO)QUINAZOLINES USEFUL AS IRREVERSIBLE INHIBITORS OF EPIDERMAL GR0WTH FACT0R RECEPTOR TYROSINE KINASE T.K. SIGNAL LTD. (IL) 2007-03-15 WO 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 CSNK2A1 1777/4885CSNK2A2 2077/4885CSNK2B 1317/4885

“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.