SCHEMBL20436802

SCHEMBL20436802

CC#C/C(=N\OCC)c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.65
ERBB2 P04626 16/20 0.65
GAK O14976 1/20 0.62
ERBB4 Q15303 3/20 0.60
ABL1 P00519 3/20 0.56
INSR P06213 3/20 0.56
PDGFRB P09619 3/20 0.56
CDK2 P24941 3/20 0.56
PLK1 P53350 3/20 0.56
HDAC1 Q13547 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56

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
SCHEMBL23127803 0.94 ERBB2 (0.65) EGFRERBB2GAKERBB4ABL1
SCHEMBL20220592 0.94 ERBB2 (0.65) EGFRERBB2GAKERBB4ABL1
SCHEMBL3698693 0.93 EGFR (0.62) EGFRERBB2GAKERBB4ABL1
SCHEMBL6959360 0.93 EGFR (0.62) EGFRERBB2GAKERBB4ABL1
SCHEMBL29651886 0.93 EGFR (0.62) EGFRERBB2GAKERBB4ABL1
SCHEMBL3698690 0.93 EGFR (0.62) EGFRERBB2GAKERBB4ABL1
SCHEMBL12202155 0.93 EGFR (0.61) EGFRERBB2GAKERBB4ABL1
SCHEMBL19121111 0.92 EGFR (0.67) EGFRERBB2GAKERBB4ABL1
SCHEMBL2478977 0.92 EGFR (0.60) EGFRERBB2GAKERBB4ABL1
SCHEMBL2478975 0.92 EGFR (0.60) EGFRERBB2GAKERBB4ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10953016-B2 Solid dosage form containing quinazoline derivative SHIONOGI & CO., LTD. (JP) 2021-03-23 US disclosed
US-20190256506-A1 SALTS OF QUINAZOLINE DERIVATIVE OR CRYSTALS THEREOF, AND THE PROCESS FOR PRODUCING THEREOF SHIONOGI & CO., LTD. (JP) 2019-08-22 US disclosed
US-10329285-B2 Salts of quinazoline derivative or crystals thereof, and the process for producing thereof SHIONOGI & CO., LTD. (JP) 2019-06-25 US disclosed
US-20180215744-A1 SALTS OF QUINAZOLINE DERIVATIVE OR CRYSTALS THEREOF, AND THE PROCESS FOR PRODUCING THEREOF SHIONOGI & CO., LTD. (JP) 2018-08-02 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 (4 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-10953016-B2 Solid dosage form containing quinazoline derivative RAB5C, MAP1LC3C, TBC1D5 EGFR 3987/4885ERBB2 3948/4885GAK 2067/4885
US-20180215744-A1 SALTS OF QUINAZOLINE DERIVATIVE OR CRYSTALS THEREOF, AND THE PROCESS FOR PRODUCING THEREOF NQO2, SQLE, CYP3A5 EGFR 3993/4885ERBB2 4104/4885GAK 1940/4885
US-20190256506-A1 SALTS OF QUINAZOLINE DERIVATIVE OR CRYSTALS THEREOF, AND THE PROCESS FOR PRODUCING THEREOF NQO2, SQLE, CYP3A5 EGFR 3993/4885ERBB2 4104/4885GAK 1940/4885
US-10329285-B2 Salts of quinazoline derivative or crystals thereof, and the process for producing thereof NQO2, SQLE, CYP3A5 EGFR 3993/4885ERBB2 4104/4885GAK 1940/4885

“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.