SCHEMBL17498586

SCHEMBL17498586

CCOc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1NC(=O)C=CCN1C[C@@H]2OCCO[C@@H]2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 1.00
▸ ERBB2 P04626 20/20 1.00
▸ JAK3 P52333 1/20 0.55
▸ ERBB4 Q15303 1/20 0.55

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
SCHEMBL16219777 1.00 EGFR (1.00) EGFRERBB2JAK3ERBB4
SCHEMBL16219899 0.94 EGFR (1.00) EGFRERBB2JAK3ERBB4
SCHEMBL17498533 0.94 EGFR (1.00) EGFRERBB2JAK3ERBB4
SCHEMBL16219907 0.93 EGFR (1.00) EGFRERBB2
SCHEMBL17498499 0.93 EGFR (1.00) EGFRERBB2
SCHEMBL16219890 0.90 EGFR (1.00) EGFRERBB2JAK3ERBB4
SCHEMBL17498501 0.90 EGFR (1.00) EGFRERBB2JAK3ERBB4
SCHEMBL16219894 0.88 EGFR (1.00) EGFRERBB2
SCHEMBL17498507 0.88 EGFR (1.00) EGFRERBB2
SCHEMBL17498506 0.88 EGFR (1.00) EGFRERBB2

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-9556191-B2 Aminoquinazoline derivatives and their salts and methods of use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-01-31 — — US disclosed
US-20160039838-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-02-11 — — 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-20160039838-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF WNK1, ABL1, NEK4 EGFR 1223/4885ERBB2 368/4885JAK3 131/4885

“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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