SCHEMBL5565145

SCHEMBL5565145

CC(C)(C)C(=O)OCn1cnc2ccc(OC3CCN(C(=O)O)CC3)cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.39
F2 P00734 1/20 0.39
ERBB2 P04626 2/20 0.38
LMNA P02545 2/20 0.37
CYP2D6 P10635 1/20 0.37
TNF P01375 1/20 0.37
HRH3 Q9Y5N1 4/20 0.36
ENPP2 Q13822 4/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NEK2 P51955 2/20 0.36
PLK1 P53350 2/20 0.36
ADRA1A P35348 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL5569391 0.90 GPR119 (0.45) HRH3
SCHEMBL6017313 0.90 HRH3 (0.39) F10F2ERBB2LMNACYP2D6
SCHEMBL5565180 0.76 TNF (0.43) LMNATNFHTTNPSR1
SCHEMBL9601170 0.76 TRPA1 (0.47) LMNATNFNPSR1
SCHEMBL14489719 0.76 RECQL (0.50) F10F2
SCHEMBL14489723 0.74 SLC2A1 (0.49) F10F2ENPP2
SCHEMBL14489721 0.74 GRK2 (0.46) ENPP2
SCHEMBL9253194 0.73 LMNA (0.43) LMNATNF
SCHEMBL9252072 0.73 TNF (0.43) LMNATNF
SCHEMBL6589975 0.72 SMN1; SMN2 (0.53) LMNAHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032508-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-08 US disclosed
EP-1664028-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026151-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-03-24 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-20070032508-A1 Quinazoline derivatives as tyrosine kinase inhibitors ABL1, ERBB2, LCK F10 3573/4885F2 1862/4885ERBB2 2/4885

“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.