SCHEMBL3820465

SCHEMBL3820465

COc1cc2nc(Nc3ccc(F)c(Cl)c3)ncc2cc1OCCCN1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.69
▸ ERBB2 P04626 2/20 0.69
▸ BRAF P15056 2/20 0.69
▸ FLT4 P35916 2/20 0.69
▸ KDR P35968 2/20 0.69
▸ CIT O14578 1/20 0.69
▸ GAK O14976 1/20 0.69
▸ EPHB6 O15197 1/20 0.69
▸ ABCC4 O15439 1/20 0.69
▸ DAPK3 O43293 1/20 0.69
▸ RIPK2 O43353 1/20 0.69
▸ NR1I2 O75469 1/20 0.69
▸ RPS6KA4 O75676 1/20 0.69
▸ STK17B O94768 1/20 0.69
▸ STK10 O94804 1/20 0.69
▸ PRKD3 O94806 1/20 0.69
▸ ABCB11 O95342 1/20 0.69
▸ MAP4K4 O95819 1/20 0.69
▸ CHEK2 O96017 1/20 0.69
▸ ABL1 P00519 1/20 0.69

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
SCHEMBL29430978 1.00 EGFR (0.69) EGFRERBB2BRAFFLT4KDR
SCHEMBL7622647 0.89 EGFR (0.57) EGFRERBB2BRAFFLT4KDR
SCHEMBL28820784 0.87 EGFR (0.70) EGFRERBB2BRAFFLT4KDR
SCHEMBL29882073 0.87 EGFR (0.70) EGFRERBB2BRAFFLT4KDR
SCHEMBL3568126 0.85 EGFR (0.69) EGFRERBB2BRAFFLT4KDR
SCHEMBL3520111 0.82 EGFR (0.72) EGFRERBB2KDRCITGAK
Gefitinib SCHEMBL29351336 0.82 EGFR (1.00) EGFRERBB2BRAFFLT4KDR
SCHEMBL12308286 0.82 EGFR (0.77) EGFRERBB2BRAFFLT4KDR
Gefitinib SCHEMBL29351046 0.82 EGFR (1.00) EGFRERBB2BRAFFLT4KDR
Gefitinib SCHEMBL465143 0.82 EGFR (1.00) EGFRERBB2BRAFFLT4KDR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612077-B2 Crystalline forms of the anti-cancer compound ZD1839 ASTRAZENECA AB (SE) 2009-11-03 — — US disclosed
EP-1546119-B1 PROCESS FOR THE PREPARATION OF 4- (3'CHLORO-4'-FLUOROANILINO) -7-METHOXY-6- (3-MORPHOLINOPROPOXY) QUINAZOLINE ASTRAZENECA AB (SE) 2009-08-19 — — EP disclosed
US-20050209229-A1 Form 3 ZD1839 dimethylsulfoxide solvate; ZD1839 is known as the tradename Iressa and as gefitinib ASTRAZENECA AB (SE) 2005-09-22 — — US disclosed
EP-1546119-A1 PROCESS FOR THE PREPARATION OF 4- (3'CHLORO-4'-FLUOROANILINO) -7-METHOXY-6- (3-MORPHOLINOPROPOXY) QUINAZOLINE AstraZeneca AB (SE) 2005-06-29 — — EP disclosed
WO-2004024703-A1 PROCESS FOR THE PREPARATION OF 4- (3’-CHLORO-4’-FLUOROANILINO) -7-METHOXY-6- (3-MORPHOLINOPROPOXY) QUINAZOLINE ASTRAZENECA AB (SE) 2004-03-25 — — 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-20050209229-A1 Form 3 ZD1839 dimethylsulfoxide solvate; ZD1839 is known as the tradename Iressa and as gefitinib KRAS, IWS1, JAK2 EGFR 14/4885ERBB2 597/4885BRAF 7/4885

“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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