SCHEMBL5123064

SCHEMBL5123064

CCOCCOc1cc2ncnc(Nc3cccc(I)c3)c2cc1N

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 4/20 0.69
▸ EGFR P00533 14/20 0.67
▸ ERBB2 P04626 2/20 0.67
▸ ERBB4 Q15303 2/20 0.67
▸ KDR P35968 2/20 0.52
▸ RET P07949 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
SCHEMBL5112762 0.99 FBP1 (0.67) FBP1EGFRERBB2ERBB4KDR
SCHEMBL4968851 0.89 FBP1 (0.59) FBP1EGFRERBB2ERBB4KDR
SCHEMBL4969538 0.89 FBP1 (0.59) FBP1EGFRERBB2ERBB4KDR
SCHEMBL5122478 0.87 EGFR (0.71) FBP1EGFRERBB2ERBB4KDR
SCHEMBL17538492 0.85 FBP1 (0.70) FBP1EGFRERBB2ERBB4KDR
SCHEMBL5121864 0.81 EGFR (0.61) FBP1EGFRERBB2ERBB4
SCHEMBL17538494 0.80 FBP1 (0.70) FBP1EGFRERBB2KDR
SCHEMBL5122522 0.80 EGFR (0.66) FBP1EGFRERBB2ERBB4KDR
SCHEMBL5111430 0.80 EGFR (0.61) FBP1EGFRERBB2ERBB4
SCHEMBL5110081 0.80 EGFR (0.65) FBP1EGFRERBB2ERBB4

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 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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