SCHEMBL4968835

SCHEMBL4968835

NC(=O)c1nc(Nc2cccc(Br)c2)c2c[c]c(OCCOCCOCCOCCOCCOCCF)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.40
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
EGFR P00533 8/20 0.37
ERBB2 P04626 2/20 0.36
CSNK2A1 P68400 2/20 0.36
FBP1 P09467 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
KDR P35968 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CLK2 P49760 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL4966654 1.00 SYK (0.40) SYKAURKARPS6KB1EGFRERBB2
SCHEMBL5122474 0.92 MAPT (0.40) SYKAURKARPS6KB1EGFRERBB2
SCHEMBL4969531 0.90 CSNK2A1 (0.36) SYKEGFRERBB2CSNK2A1FBP1
SCHEMBL4968843 0.90 CSNK2A1 (0.36) SYKEGFRERBB2CSNK2A1FBP1
SCHEMBL2974728 0.83 EGFR (0.49) AURKARPS6KB1EGFRERBB2CSNK2A1
SCHEMBL5112759 0.81 MAPT (0.40) SYKEGFRERBB2CSNK2A1FBP1
SCHEMBL5123062 0.80 MAPT (0.40) SYKEGFRERBB2CSNK2A1FBP1
SCHEMBL5108932 0.79 EGFR (0.35) EGFRERBB2KDR
SCHEMBL27067 0.78 EGFR (0.43) AURKARPS6KB1EGFRERBB2CSNK2A1
SCHEMBL2992809 0.74 AURKA (0.46) SYKAURKARPS6KB1EGFRERBB2

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 SYK 394/4885AURKA 487/4885RPS6KB1 681/4885

“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.