SCHEMBL17498567

SCHEMBL17498567

O=C(C=CCN1C[C@@H]2OCCO[C@@H]2C1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 1.00
▸ ERBB2 P04626 13/20 1.00
▸ GAK O14976 2/20 0.76
▸ ABL1 P00519 2/20 0.76
▸ LCK P06239 2/20 0.76
▸ MET P08581 2/20 0.76
▸ PHKG2 P15735 2/20 0.76
▸ BLK P51451 2/20 0.76
▸ IRAK1 P51617 2/20 0.76
▸ DYRK1A Q13627 2/20 0.76
▸ ERBB4 Q15303 2/20 0.76
▸ HIPK4 Q8NE63 2/20 0.76
▸ EPHA6 Q9UF33 2/20 0.76
▸ CIT O14578 1/20 0.76
▸ EPHB6 O15197 1/20 0.76
▸ RIPK2 O43353 1/20 0.76
▸ STK10 O94804 1/20 0.76
▸ LYN P07948 1/20 0.76
▸ RET P07949 1/20 0.76
▸ CHRM2 P08172 1/20 0.76

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
SCHEMBL17545562 1.00 EGFR (1.00) EGFRERBB2GAKABL1LCK
SCHEMBL17498565 1.00 EGFR (1.00) EGFRERBB2GAKABL1LCK
SCHEMBL16219889 1.00 EGFR (1.00) EGFRERBB2GAKABL1LCK
SCHEMBL12936125 0.93 EGFR (0.87) EGFRERBB2GAKABL1LCK
SCHEMBL2073919 0.92 EGFR (0.86) EGFRERBB2GAKABL1LCK
SCHEMBL12936129 0.92 EGFR (0.86) EGFRERBB2GAKABL1LCK
SCHEMBL12936110 0.92 EGFR (0.86) EGFRERBB2GAKABL1LCK
SCHEMBL2073920 0.92 EGFR (0.86) EGFRERBB2GAKABL1LCK
SCHEMBL2073917 0.92 EGFR (0.86) EGFRERBB2GAKABL1LCK
SCHEMBL1191715 0.92 EGFR (0.91) EGFRERBB2GAKABL1LCK

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 368/4885GAK 205/4885

“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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