SCHEMBL4968868

SCHEMBL4968868

CS(=O)(=O)OCCOCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 4/20 0.72
▸ EGFR P00533 17/20 0.69
▸ ERBB2 P04626 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ GAK O14976 1/20 0.52
▸ MAPK13 O15264 1/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CDK1 P06493 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ SRC P12931 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ EPHB2 P29323 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ KDR P35968 1/20 0.52
▸ MAPK12 P53778 1/20 0.52

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
SCHEMBL4967305 1.00 FBP1 (0.72) FBP1EGFRERBB2KDM4EGAK
SCHEMBL4968920 1.00 FBP1 (0.72) FBP1EGFRERBB2KDM4EGAK
SCHEMBL1417695 0.97 FBP1 (0.75) FBP1EGFRERBB2KDM4EGAK
SCHEMBL1418026 0.93 FBP1 (0.74) FBP1EGFRERBB2KDM4EGAK
SCHEMBL1418085 0.93 FBP1 (0.74) FBP1EGFRERBB2KDM4EGAK
SCHEMBL5147122 0.91 FBP1 (0.65) FBP1EGFRERBB2ERBB4
SCHEMBL4967582 0.90 FBP1 (0.57) FBP1EGFRERBB2KDRABCG2
SCHEMBL5115813 0.90 FBP1 (0.57) FBP1EGFRERBB2KDRABCG2
SCHEMBL5123093 0.90 FBP1 (0.57) FBP1EGFRERBB2KDRABCG2
SCHEMBL13699309 0.90 FBP1 (0.67) FBP1EGFR

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 FBP1 1341/4885EGFR 1/4885ERBB2 3/4885

“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.

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