SCHEMBL15877129

SCHEMBL15877129

COCCN(C)C/C=C(\F)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.83
ERBB2 P04626 8/20 0.83
ERBB4 Q15303 3/20 0.83
ABL1 P00519 1/20 0.83
PDGFRB P09619 1/20 0.83
SRC P12931 1/20 0.83
PDGFRA P16234 1/20 0.83
FLT3 P36888 1/20 0.83
ERBB3 P21860 1/20 0.63
DUS2 Q9NX74 1/20 0.63
JAK3 P52333 1/20 0.61
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60

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
SCHEMBL15877130 1.00 EGFR (0.83) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL15876900 0.91 EGFR (1.00) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL15876899 0.91 EGFR (1.00) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL15876902 0.91 EGFR (1.00) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL15876903 0.88 EGFR (0.86) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL15876934 0.88 EGFR (0.86) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL15877088 0.88 EGFR (0.85) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL15877086 0.88 EGFR (0.85) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL15877080 0.87 EGFR (0.81) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL15877419 0.87 EGFR (0.81) EGFRERBB2ERBB4ABL1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371292-B2 Quinazoline derivative, preparation method therefor, intermediate, composition and application thereof SHANGHAI PHARMACEUTICALS HOLDINGS CO., LTD. (CN) 2016-06-21 US claimed
US-20140206687-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF ZHEJIANG UNIVERSITY (CN) 2014-07-24 US claimed
US-9371292-B2 Quinazoline derivative, preparation method therefor, intermediate, composition and application thereof SHANGHAI PHARMACEUTICALS HOLDINGS CO., LTD. (CN) 2016-06-21 US disclosed
US-9371292-B2 Quinazoline derivative, preparation method therefor, intermediate, composition and application thereof SHANGHAI PHARMACEUTICALS HOLDINGS CO., LTD. (CN) 2016-06-21 US disclosed
US-20140206687-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF ZHEJIANG UNIVERSITY (CN) 2014-07-24 US disclosed
US-20140206687-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF ZHEJIANG UNIVERSITY (CN) 2014-07-24 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-20140206687-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF WEE1, WEE2, CYP4F11 EGFR 4406/4885ERBB2 4001/4885ERBB4 4249/4885

“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.