SCHEMBL16219890

SCHEMBL16219890

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)/C=C/CN1C[C@@H]2OCCO[C@@H]2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
ERBB2 P04626 20/20 1.00
ERBB4 Q15303 5/20 0.63
GAK O14976 1/20 0.63
RIPK2 O43353 1/20 0.63
NR1I2 O75469 1/20 0.63
LCK P06239 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
CHRM1 P11229 1/20 0.63
SRC P12931 1/20 0.63
DRD2 P14416 1/20 0.63
ADRA2C P18825 1/20 0.63
SLC6A2 P23975 1/20 0.63
MC3R P41968 1/20 0.63
JAK3 P52333 1/20 0.63
SLC6A3 Q01959 1/20 0.63
PDE4D Q08499 1/20 0.63
KCNH2 Q12809 1/20 0.63
RIPK3 Q9Y572 1/20 0.63

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
SCHEMBL17498501 1.00 EGFR (1.00) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL16219899 0.95 EGFR (1.00) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL17498533 0.95 EGFR (1.00) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL16219777 0.90 EGFR (1.00) EGFRERBB2ERBB4JAK3
SCHEMBL17498586 0.90 EGFR (1.00) EGFRERBB2ERBB4JAK3
SCHEMBL16219901 0.89 EGFR (1.00) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL16219967 0.89 EGFR (1.00) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL17498526 0.89 EGFR (1.00) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL17498499 0.89 EGFR (1.00) EGFRERBB2
SCHEMBL16219907 0.89 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 5 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-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
US-20160039838-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-02-11 US disclosed
WO-2014177038-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-11-06 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-20160039838-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF WNK1, ABL1, NEK4 EGFR 1223/4885ERBB2 368/4885ERBB4 569/4885

“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.